N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide

C23H28N2O2 — CID 52506120

IUPACN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
SMILESC[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-17(22(26)24-16-18-8-4-2-5-9-18)25-23(27)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,17,19H,3,6-7,10-11,16H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyNZADUMRQSRJVPJ-KRWDZBQOSA-N
MW364.49 g/mol
LogP4.17
Rot. Bonds6

About N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide (PubChem CID 52506120) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
PubChem CID52506120
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
SMILESC[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-17(22(26)24-16-18-8-4-2-5-9-18)25-23(27)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,17,19H,3,6-7,10-11,16H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyNZADUMRQSRJVPJ-KRWDZBQOSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
2-[(4-cyclopentylbenzoyl)amino]propanoic acid
CID 110466073
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
CID 99785373
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide (CID 52506120) is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide is C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide?
The InChIKey is NZADUMRQSRJVPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(22(26)24-16-18-8-4-2-5-9-18)25-23(27)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,17,19H,3,6-7,10-11,16H2,1H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide?
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide is sourced from PubChem (CID 52506120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).