(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H25N3O3 — CID 95301966

IUPAC(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@H](C(=O)N[C@@H](C#N)CC(C)C)CC2=O)cc1
InChIInChI=1S/C19H25N3O3/c1-13(2)8-16(10-20)21-19(24)15-9-18(23)22(12-15)11-14-4-6-17(25-3)7-5-14/h4-7,13,15-16H,8-9,11-12H2,1-3H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyWIRXGSOCHYVAJC-HZPDHXFCSA-N
MW343.43 g/mol
LogP2.10
Rot. Bonds7

About (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95301966) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95301966
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@H](C(=O)N[C@@H](C#N)CC(C)C)CC2=O)cc1
InChIInChI=1S/C19H25N3O3/c1-13(2)8-16(10-20)21-19(24)15-9-18(23)22(12-15)11-14-4-6-17(25-3)7-5-14/h4-7,13,15-16H,8-9,11-12H2,1-3H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyWIRXGSOCHYVAJC-HZPDHXFCSA-N
XLogP2.10
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119588786
(3R)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97351337
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
(3S)-N-[(1R)-1,2-diphenylethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017858
N-(2-amino-5-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119421804
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95301966) is (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN2C[C@H](C(=O)N[C@@H](C#N)CC(C)C)CC2=O)cc1.
What is the InChIKey of (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WIRXGSOCHYVAJC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)8-16(10-20)21-19(24)15-9-18(23)22(12-15)11-14-4-6-17(25-3)7-5-14/h4-7,13,15-16H,8-9,11-12H2,1-3H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95301966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).