1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide

C27H34N4O2 — CID 123503664

IUPAC1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(N)C(=O)N1CCCC1C(=O)Nc1ccc(-c2cccc3c2C2CCC3N2C(C)C)cc1
InChIInChI=1S/C27H34N4O2/c1-16(2)31-22-13-14-23(31)25-20(6-4-7-21(22)25)18-9-11-19(12-10-18)29-26(32)24-8-5-15-30(24)27(33)17(3)28/h4,6-7,9-12,16-17,22-24H,5,8,13-15,28H2,1-3H3,(H,29,32)
InChIKeyRRQZWBJIONQGPF-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide

1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 123503664) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID123503664
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(N)C(=O)N1CCCC1C(=O)Nc1ccc(-c2cccc3c2C2CCC3N2C(C)C)cc1
InChIInChI=1S/C27H34N4O2/c1-16(2)31-22-13-14-23(31)25-20(6-4-7-21(22)25)18-9-11-19(12-10-18)29-26(32)24-8-5-15-30(24)27(33)17(3)28/h4,6-7,9-12,16-17,22-24H,5,8,13-15,28H2,1-3H3,(H,29,32)
InChIKeyRRQZWBJIONQGPF-UHFFFAOYSA-N
XLogP4.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
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CID 11902921
1-(2-amino-3-methylbutanoyl)-N-[4-(4-bromophenyl)phenyl]pyrrolidine-2-carboxamide
CID 141292314
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181596
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2S)-1-[(2R)-2-(2-methylpropanoylamino)-2-phenylacetyl]-N-[4-[4-[[(2S)-1-[(2R)-2-(2-methylpropanoylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 70896312
1-[(2S)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[4-[[1-[(2S)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 118691640
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
CID 60527303
methyl N-[1-[2-[[4-[4-(methylamino)phenyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 144739313
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 123503664) is 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide is CC(N)C(=O)N1CCCC1C(=O)Nc1ccc(-c2cccc3c2C2CCC3N2C(C)C)cc1.
What is the InChIKey of 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RRQZWBJIONQGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-16(2)31-22-13-14-23(31)25-20(6-4-7-21(22)25)18-9-11-19(12-10-18)29-26(32)24-8-5-15-30(24)27(33)17(3)28/h4,6-7,9-12,16-17,22-24H,5,8,13-15,28H2,1-3H3,(H,29,32).
What are the key properties of 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide?
1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123503664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).