(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide

C27H28N2O3 — CID 93150878

IUPAC(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H28N2O3/c1-19-9-6-7-14-23(19)27(31)29-17-24(21-12-8-13-22(15-21)32-2)25(18-29)26(30)28-16-20-10-4-3-5-11-20/h3-15,24-25H,16-18H2,1-2H3,(H,28,30)/t24-,25-/m0/s1
InChIKeyCDSVYKVSHISWNH-DQEYMECFSA-N
MW428.53 g/mol
LogP4.18
Rot. Bonds6

About (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide

(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 93150878) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID93150878
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H28N2O3/c1-19-9-6-7-14-23(19)27(31)29-17-24(21-12-8-13-22(15-21)32-2)25(18-29)26(30)28-16-20-10-4-3-5-11-20/h3-15,24-25H,16-18H2,1-2H3,(H,28,30)/t24-,25-/m0/s1
InChIKeyCDSVYKVSHISWNH-DQEYMECFSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826711
(3S,4R)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150856
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680876
N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680858
(3R,4R)-4-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150722
(3S,4S)-N-benzyl-1-(3-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148992
1-benzoyl-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681657
N-benzyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42680755
(3S,4S)-1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93150934
1-(3-chlorobenzoyl)-4-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42682013
N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42681083
(3S,4R)-N-(cyclopropylmethyl)-4-(3-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93154365

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide (CID 93150878) is (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide is COc1cccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccccc2)c1.
What is the InChIKey of (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is CDSVYKVSHISWNH-DQEYMECFSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-9-6-7-14-23(19)27(31)29-17-24(21-12-8-13-22(15-21)32-2)25(18-29)26(30)28-16-20-10-4-3-5-11-20/h3-15,24-25H,16-18H2,1-2H3,(H,28,30)/t24-,25-/m0/s1.
What are the key properties of (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide?
(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93150878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).