1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide

C22H26N2O3 — CID 42829675

IUPAC1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(C)=O)CC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-16(25)24-14-19(18-11-7-8-12-21(18)27-3)20(15-24)22(26)23(2)13-17-9-5-4-6-10-17/h4-12,19-20H,13-15H2,1-3H3
InChIKeyHMUQPZVBJOZNLV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.92
Rot. Bonds5

About 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide

1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 42829675) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID42829675
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(C)=O)CC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-16(25)24-14-19(18-11-7-8-12-21(18)27-3)20(15-24)22(26)23(2)13-17-9-5-4-6-10-17/h4-12,19-20H,13-15H2,1-3H3
InChIKeyHMUQPZVBJOZNLV-UHFFFAOYSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-N-benzyl-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-3-carboxamide
CID 98627042
(3R,4S)-N-benzyl-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-3-carboxamide
CID 93153004
(3S,4S)-N-benzyl-4-(2,5-dimethoxyphenyl)-N-methyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 93153926
(3S,4R)-N-benzyl-4-(2,5-dimethoxyphenyl)-N-methyl-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93153939
(3R,4R)-N-benzyl-1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-3-carboxamide
CID 93153953
(3S,4R)-N-benzyl-4-(3-methoxyphenyl)-N-methyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 93154413
(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-N-methyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 93154415
1-benzyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53422379
(3R,4R)-3-N-benzyl-1-N-tert-butyl-4-(3-methoxyphenyl)-3-N-methylpyrrolidine-1,3-dicarboxamide
CID 93154523
4-(2-methoxyphenyl)-1-(2-phenylacetyl)-N-propylpyrrolidine-3-carboxamide
CID 42681035
(3R,4R)-4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51441183
N,N-diethyl-4-(2-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide
CID 42829705

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide (CID 42829675) is 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide is COc1ccccc1C1CN(C(C)=O)CC1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is HMUQPZVBJOZNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(25)24-14-19(18-11-7-8-12-21(18)27-3)20(15-24)22(26)23(2)13-17-9-5-4-6-10-17/h4-12,19-20H,13-15H2,1-3H3.
What are the key properties of 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide?
1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-4-(2-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42829675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).