2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide

C23H29N3O2 — CID 126426041

IUPAC2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-4-26-15-7-8-19(26)16-24-22(27)18-13-11-17(12-14-18)20-9-5-6-10-21(20)23(28)25(2)3/h5-6,9-14,19H,4,7-8,15-16H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyWOAIVKKOKXVKQI-IBGZPJMESA-N
MW379.50 g/mol
LogP3.27
Rot. Bonds6

About 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide

2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide (PubChem CID 126426041) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
PubChem CID126426041
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-4-26-15-7-8-19(26)16-24-22(27)18-13-11-17(12-14-18)20-9-5-6-10-21(20)23(28)25(2)3/h5-6,9-14,19H,4,7-8,15-16H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyWOAIVKKOKXVKQI-IBGZPJMESA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide (CID 126426041) is 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide is CCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide?
The InChIKey is WOAIVKKOKXVKQI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-26-15-7-8-19(26)16-24-22(27)18-13-11-17(12-14-18)20-9-5-6-10-21(20)23(28)25(2)3/h5-6,9-14,19H,4,7-8,15-16H2,1-3H3,(H,24,27)/t19-/m0/s1.
What are the key properties of 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide?
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 126426041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).