N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide

C17H24N2O2 — CID 39963895

IUPACN-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
SMILESC[C@@H](CC(=O)NC1CCCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(18-17(21)14-8-4-2-5-9-14)12-16(20)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyBYWBVXNKVZSQRE-ZDUSSCGKSA-N
MW288.39 g/mol
LogP2.64
Rot. Bonds5

About N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide

N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide (PubChem CID 39963895) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
PubChem CID39963895
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
SMILESC[C@@H](CC(=O)NC1CCCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(18-17(21)14-8-4-2-5-9-14)12-16(20)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyBYWBVXNKVZSQRE-ZDUSSCGKSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2547647
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N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-[4-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide (CID 39963895) is N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide is C[C@@H](CC(=O)NC1CCCCC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide?
The InChIKey is BYWBVXNKVZSQRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(18-17(21)14-8-4-2-5-9-14)12-16(20)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide?
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 39963895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).