N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide

C16H22N2O — CID 28620674

IUPACN-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC2CCCCC2)c1)C1CC1
InChIInChI=1S/C16H22N2O/c19-16(12-9-10-12)18-15-8-4-7-14(11-15)17-13-5-2-1-3-6-13/h4,7-8,11-13,17H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyFLWUPACSSMMIGD-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.78
Rot. Bonds4

About N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide

N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide (PubChem CID 28620674) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
PubChem CID28620674
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC2CCCCC2)c1)C1CC1
InChIInChI=1S/C16H22N2O/c19-16(12-9-10-12)18-15-8-4-7-14(11-15)17-13-5-2-1-3-6-13/h4,7-8,11-13,17H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyFLWUPACSSMMIGD-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 106593465
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide (CID 28620674) is N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NC2CCCCC2)c1)C1CC1.
What is the InChIKey of N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is FLWUPACSSMMIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(12-9-10-12)18-15-8-4-7-14(11-15)17-13-5-2-1-3-6-13/h4,7-8,11-13,17H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide?
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 28620674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).