N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide

C21H32N2O2 — CID 22422546

IUPACN-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H32N2O2/c1-16(2)15-19(23-20(24)18-11-7-4-8-12-18)21(25)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16,18-19H,4,7-8,11-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLEUGMHAKTSUXIG-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.46
Rot. Bonds8

About N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide

N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide (PubChem CID 22422546) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
PubChem CID22422546
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H32N2O2/c1-16(2)15-19(23-20(24)18-11-7-4-8-12-18)21(25)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16,18-19H,4,7-8,11-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLEUGMHAKTSUXIG-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
N-[4-methyl-5-oxo-5-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 67327174
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
N-[(2S)-3-cyclohexyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]-4-methyl-2-(2-sulfanylethyl)pentanamide
CID 18666607
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
ethyl (2S,3S)-3-[[(2S)-4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 22820386
N-[(2S)-3-cyclohexyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]-4-hydroxy-2-(2-methylpropyl)-5-sulfanylpentanamide
CID 18666605
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
CID 70967784

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide (CID 22422546) is N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide is CC(C)CC(NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide?
The InChIKey is LEUGMHAKTSUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)15-19(23-20(24)18-11-7-4-8-12-18)21(25)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16,18-19H,4,7-8,11-15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide?
N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 22422546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).