(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C23H29N3O2 — CID 97197462

IUPAC(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1cccc([C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)N(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-6-11-18(14-17)22(25(2)3)23(28)24-15-19-9-4-5-10-20(19)16-26-13-7-12-21(26)27/h4-6,8-11,14,22H,7,12-13,15-16H2,1-3H3,(H,24,28)/t22-/m0/s1
InChIKeyZZVIJADJAFRLIV-QFIPXVFZSA-N
MW379.50 g/mol
LogP3.04
Rot. Bonds7

About (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 97197462) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID97197462
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1cccc([C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)N(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-6-11-18(14-17)22(25(2)3)23(28)24-15-19-9-4-5-10-20(19)16-26-13-7-12-21(26)27/h4-6,8-11,14,22H,7,12-13,15-16H2,1-3H3,(H,24,28)/t22-/m0/s1
InChIKeyZZVIJADJAFRLIV-QFIPXVFZSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-methyl-1-[2-(3-methylphenyl)propyl]-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111659645
2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 72875005
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021481
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2-methyl-1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine
CID 111124369

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 97197462) is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is Cc1cccc([C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is ZZVIJADJAFRLIV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-6-11-18(14-17)22(25(2)3)23(28)24-15-19-9-4-5-10-20(19)16-26-13-7-12-21(26)27/h4-6,8-11,14,22H,7,12-13,15-16H2,1-3H3,(H,24,28)/t22-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 97197462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).