4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide

C22H27N3O3 — CID 51966010

IUPAC4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESCNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)17-12-10-16(11-13-17)20(27)24-14-18(26)25-19(21(28)23-4)15-8-6-5-7-9-15/h5-13,19H,14H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyMTPVZLGNYIEVDW-IBGZPJMESA-N
MW381.48 g/mol
LogP2.32
Rot. Bonds6

About 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 51966010) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
PubChem CID51966010
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESCNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)17-12-10-16(11-13-17)20(27)24-14-18(26)25-19(21(28)23-4)15-8-6-5-7-9-15/h5-13,19H,14H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyMTPVZLGNYIEVDW-IBGZPJMESA-N
XLogP2.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide 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

2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
CID 134029320
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
4-tert-butyl-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55483213
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
3-amino-5-methyl-N-[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-oxohexanamide
CID 70315104
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide (CID 51966010) is 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide is CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is MTPVZLGNYIEVDW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)17-12-10-16(11-13-17)20(27)24-14-18(26)25-19(21(28)23-4)15-8-6-5-7-9-15/h5-13,19H,14H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t19-/m0/s1.
What are the key properties of 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51966010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).