N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide

C15H20N2O2 — CID 51648995

IUPACN-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
SMILESC[C@H](CC(=O)NCC1CC1)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(9-14(18)16-10-12-7-8-12)17-15(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyVTICEQNSZIUHTG-LLVKDONJSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds6

About N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide

N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide (PubChem CID 51648995) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
PubChem CID51648995
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
SMILESC[C@H](CC(=O)NCC1CC1)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(9-14(18)16-10-12-7-8-12)17-15(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyVTICEQNSZIUHTG-LLVKDONJSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[(2S)-4-oxo-4-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methylamino]butan-2-yl]benzamide
CID 30693866
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
methyl 4-(3-benzamidobutanoylamino)butanoate
CID 46419094
N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
CID 92844284
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55936242
methyl 3-benzamidobutanoate
CID 10857046
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide (CID 51648995) is N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide is C[C@H](CC(=O)NCC1CC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide?
The InChIKey is VTICEQNSZIUHTG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(9-14(18)16-10-12-7-8-12)17-15(19)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide?
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51648995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).