2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide

C18H28N2O — CID 106910808

IUPAC2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(C)NCc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-14(2)19-13-16-9-6-10-17(11-16)20-18(21)12-15-7-4-3-5-8-15/h6,9-11,14-15,19H,3-5,7-8,12-13H2,1-2H3,(H,20,21)
InChIKeyONJNRWUVLUZZHS-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.09
Rot. Bonds6

About 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide

2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 106910808) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
PubChem CID106910808
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(C)NCc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-14(2)19-13-16-9-6-10-17(11-16)20-18(21)12-15-7-4-3-5-8-15/h6,9-11,14-15,19H,3-5,7-8,12-13H2,1-2H3,(H,20,21)
InChIKeyONJNRWUVLUZZHS-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910809
N-[3-[(propan-2-ylamino)methyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106910792
tert-butyl N-[3-[[3-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921459
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide (CID 106910808) is 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide is CC(C)NCc1cccc(NC(=O)CC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is ONJNRWUVLUZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)19-13-16-9-6-10-17(11-16)20-18(21)12-15-7-4-3-5-8-15/h6,9-11,14-15,19H,3-5,7-8,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 106910808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).