N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide

C46H56N10O10 — CID 157402985

IUPACN-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C2CCC(=O)N2)cc1.NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C25H29N5O5.C21H27N5O5/c26-21(31)13-19(29-23(33)18-10-11-22(32)28-18)25(35)30-12-4-9-20(30)24(34)27-14-16-7-3-6-15-5-1-2-8-17(15)16;1-12-4-6-13(7-5-12)23-20(30)16-3-2-10-26(16)21(31)15(11-17(22)27)25-19(29)14-8-9-18(28)24-14/h1-3,5-8,18-20H,4,9-14H2,(H2,26,31)(H,27,34)(H,28,32)(H,29,33);4-7,14-16H,2-3,8-11H2,1H3,(H2,22,27)(H,23,30)(H,24,28)(H,25,29)
InChIKeyBNJSAGIISBMBQE-UHFFFAOYSA-N
MW909.01 g/mol
LogP-0.35
Rot. Bonds15

About N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 157402985) has the molecular formula C46H56N10O10 and a molecular weight of 909.01 g/mol. Its IUPAC name is N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID157402985
Molecular FormulaC46H56N10O10
Molecular Weight909.01 g/mol
Exact Mass908.42
IUPAC NameN-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C2CCC(=O)N2)cc1.NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C25H29N5O5.C21H27N5O5/c26-21(31)13-19(29-23(33)18-10-11-22(32)28-18)25(35)30-12-4-9-20(30)24(34)27-14-16-7-3-6-15-5-1-2-8-17(15)16;1-12-4-6-13(7-5-12)23-20(30)16-3-2-10-26(16)21(31)15(11-17(22)27)25-19(29)14-8-9-18(28)24-14/h1-3,5-8,18-20H,4,9-14H2,(H2,26,31)(H,27,34)(H,28,32)(H,29,33);4-7,14-16H,2-3,8-11H2,1H3,(H2,22,27)(H,23,30)(H,24,28)(H,25,29)
InChIKeyBNJSAGIISBMBQE-UHFFFAOYSA-N
XLogP-0.35
TPSA301.40 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.01
LogP ≤ 5-0.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 59096165
(2S)-N-[(2S)-4-amino-1-[(2S)-2-[(2-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 134152849
N-[4-amino-1,4-dioxo-1-[2-[(6-oxobenzo[c]chromen-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 10119382
(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 171395621
(2S)-N-[(2S)-4-amino-1-[(2S)-2-[(3-hydroxy-4-methoxybenzoyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 134142867
(2S)-N-[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
CID 10290626
(2S)-5-amino-2-[[2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 101222117
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
1-[2-[2-(chloroamino)propanoylamino]-3-methylbutanoyl]-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 89078591
(2S)-N-[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 13312525
ethyl (2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 132569663
(2S)-N-[(2S)-4-amino-1-[(2S)-2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[(2-hydroxy-4-methyl-2H-chromen-7-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 11535314

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 157402985) is N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C2CCC(=O)N2)cc1.NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NCc1cccc2ccccc12.
What is the InChIKey of N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BNJSAGIISBMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5.C21H27N5O5/c26-21(31)13-19(29-23(33)18-10-11-22(32)28-18)25(35)30-12-4-9-20(30)24(34)27-14-16-7-3-6-15-5-1-2-8-17(15)16;1-12-4-6-13(7-5-12)23-20(30)16-3-2-10-26(16)21(31)15(11-17(22)27)25-19(29)14-8-9-18(28)24-14/h1-3,5-8,18-20H,4,9-14H2,(H2,26,31)(H,27,34)(H,28,32)(H,29,33);4-7,14-16H,2-3,8-11H2,1H3,(H2,22,27)(H,23,30)(H,24,28)(H,25,29).
What are the key properties of N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 909.01 g/mol, XLogP of -0.35, 15 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-(naphthalen-1-ylmethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 157402985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).