(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H27N3O5 — CID 41031971

IUPAC(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H27N3O5/c1-17-9-7-8-12-22(17)30-16-19(13-25(30)31)27(33)29-21-15-23(34-2)20(14-24(21)35-3)28-26(32)18-10-5-4-6-11-18/h4-12,14-15,19H,13,16H2,1-3H3,(H,28,32)(H,29,33)/t19-/m1/s1
InChIKeyGJXLVPZROQYCTI-LJQANCHMSA-N
MW473.53 g/mol
LogP4.26
Rot. Bonds7

About (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 41031971) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID41031971
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H27N3O5/c1-17-9-7-8-12-22(17)30-16-19(13-25(30)31)27(33)29-21-15-23(34-2)20(14-24(21)35-3)28-26(32)18-10-5-4-6-11-18/h4-12,14-15,19H,13,16H2,1-3H3,(H,28,32)(H,29,33)/t19-/m1/s1
InChIKeyGJXLVPZROQYCTI-LJQANCHMSA-N
XLogP4.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120416
(3S)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42588888
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
methyl 3-[[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113185952
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26209339
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 41031971) is (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GJXLVPZROQYCTI-LJQANCHMSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-9-7-8-12-22(17)30-16-19(13-25(30)31)27(33)29-21-15-23(34-2)20(14-24(21)35-3)28-26(32)18-10-5-4-6-11-18/h4-12,14-15,19H,13,16H2,1-3H3,(H,28,32)(H,29,33)/t19-/m1/s1.
What are the key properties of (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41031971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).