N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide

C22H29N3O2 — CID 11574190

IUPACN-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
SMILESCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C22H29N3O2/c1-4-8-20(22(27)23-15-16-25(2)3)24-21(26)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14,20H,4,8,15-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyIOWCZJOMKBTKIJ-FQEVSTJZSA-N
MW367.49 g/mol
LogP2.93
Rot. Bonds9

About N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide

N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide (PubChem CID 11574190) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
PubChem CID11574190
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
SMILESCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCCN(C)C
InChIInChI=1S/C22H29N3O2/c1-4-8-20(22(27)23-15-16-25(2)3)24-21(26)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14,20H,4,8,15-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyIOWCZJOMKBTKIJ-FQEVSTJZSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide 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-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide
CID 11559884
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-[1-[2-(dimethylamino)ethylamino]-4-(2-hydroxy-3-methoxypropyl)sulfanyl-1-oxobutan-2-yl]benzamide
CID 58687320
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
(4S)-5-(5-hydroxypentylamino)-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 67334230
N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 6724785
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
N-butyl-4-phenylbenzamide
CID 3637649
4-ethylsulfanyl-2-[(4-phenylbenzoyl)amino]butanoic acid
CID 108766780
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide (CID 11574190) is N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide is CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCCN(C)C.
What is the InChIKey of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide?
The InChIKey is IOWCZJOMKBTKIJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-8-20(22(27)23-15-16-25(2)3)24-21(26)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14,20H,4,8,15-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 11574190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).