N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide

C15H22N4O3 — CID 134045604

IUPACN-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(NC(=O)C(NC(=O)Nc1ccccc1)C(C)C)C(N)=O
InChIInChI=1S/C15H22N4O3/c1-9(2)12(14(21)17-10(3)13(16)20)19-15(22)18-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H2,16,20)(H,17,21)(H2,18,19,22)
InChIKeyGLWHVJFFDAAKMS-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.82
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide

N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 134045604) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID134045604
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(NC(=O)C(NC(=O)Nc1ccccc1)C(C)C)C(N)=O
InChIInChI=1S/C15H22N4O3/c1-9(2)12(14(21)17-10(3)13(16)20)19-15(22)18-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H2,16,20)(H,17,21)(H2,18,19,22)
InChIKeyGLWHVJFFDAAKMS-UHFFFAOYSA-N
XLogP0.82
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617065
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617063
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504
2-[(4-carbamoylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61185994
N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 46643344
methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate
CID 22210278
N-[1-(4-bromophenyl)propan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717101
(2S)-N-(5-chloro-2-methylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 8502241
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 134045604) is N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(NC(=O)C(NC(=O)Nc1ccccc1)C(C)C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is GLWHVJFFDAAKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)12(14(21)17-10(3)13(16)20)19-15(22)18-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H2,16,20)(H,17,21)(H2,18,19,22).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 306.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 134045604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).