N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide

C22H26N2O2 — CID 18104757

IUPACN-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-20(16-23-22(26)19-14-8-3-9-15-19)24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,26)(H,24,25)
InChIKeyIREIUMOBJVCUKS-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18104757) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18104757
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-20(16-23-22(26)19-14-8-3-9-15-19)24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,26)(H,24,25)
InChIKeyIREIUMOBJVCUKS-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
N-phenacylcyclohexanecarboxamide
CID 54070217
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 86880225
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 18104757) is N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is IREIUMOBJVCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-20(16-23-22(26)19-14-8-3-9-15-19)24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18104757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).