4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide

C17H26N4O3 — CID 8767331

IUPAC4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide
SMILESC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26N4O3/c1-11(21(5)10-14(22)20-17(2,3)4)16(24)19-13-8-6-12(7-9-13)15(18)23/h6-9,11H,10H2,1-5H3,(H2,18,23)(H,19,24)(H,20,22)/t11-/m0/s1
InChIKeyVUUYOWXYXPYDEH-NSHDSACASA-N
MW334.42 g/mol
LogP0.96
Rot. Bonds6

About 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide

4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide (PubChem CID 8767331) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide
PubChem CID8767331
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide
SMILESC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26N4O3/c1-11(21(5)10-14(22)20-17(2,3)4)16(24)19-13-8-6-12(7-9-13)15(18)23/h6-9,11H,10H2,1-5H3,(H2,18,23)(H,19,24)(H,20,22)/t11-/m0/s1
InChIKeyVUUYOWXYXPYDEH-NSHDSACASA-N
XLogP0.96
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]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

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 8767426
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanamide
CID 8767208
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8768055
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2S)-N-(4-acetylphenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propanamide
CID 31390162
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8767309
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
4-[[(2R)-2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 96541344

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide (CID 8767331) is 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide is C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide?
The InChIKey is VUUYOWXYXPYDEH-NSHDSACASA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(21(5)10-14(22)20-17(2,3)4)16(24)19-13-8-6-12(7-9-13)15(18)23/h6-9,11H,10H2,1-5H3,(H2,18,23)(H,19,24)(H,20,22)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide?
4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide has a molecular weight of 334.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide is sourced from PubChem (CID 8767331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).