N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide

C15H23N3O2 — CID 54225328

IUPACN-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide
SMILESC[C@@H](C(=O)NCC(C)(C)N)N(C)C(=O)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(13(19)17-10-15(2,3)16)18(4)14(20)12-8-6-5-7-9-12/h5-9,11H,10,16H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyQFLCJHBNABNTDU-NSHDSACASA-N
MW277.37 g/mol
LogP1.00
Rot. Bonds5

About N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide

N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide (PubChem CID 54225328) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide
PubChem CID54225328
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide
SMILESC[C@@H](C(=O)NCC(C)(C)N)N(C)C(=O)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(13(19)17-10-15(2,3)16)18(4)14(20)12-8-6-5-7-9-12/h5-9,11H,10,16H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyQFLCJHBNABNTDU-NSHDSACASA-N
XLogP1.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119627492
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 62627453
N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
CID 119628134
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
CID 71855133
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
3-acetyloxy-2-[benzoyl(methyl)amino]propanoic acid
CID 70816908

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide?
The IUPAC name of N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide (CID 54225328) is N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide is C[C@@H](C(=O)NCC(C)(C)N)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide?
The InChIKey is QFLCJHBNABNTDU-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(13(19)17-10-15(2,3)16)18(4)14(20)12-8-6-5-7-9-12/h5-9,11H,10,16H2,1-4H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide?
N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 54225328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).