N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide

C18H26N2O — CID 64773730

IUPACN-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC1CCC(C)C(Nc2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C18H26N2O/c1-12-6-7-13(2)17(10-12)19-15-4-3-5-16(11-15)20-18(21)14-8-9-14/h3-5,11-14,17,19H,6-10H2,1-2H3,(H,20,21)
InChIKeyYPEYMFWBWPPYQX-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.27
Rot. Bonds4

About N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide

N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 64773730) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID64773730
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC1CCC(C)C(Nc2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C18H26N2O/c1-12-6-7-13(2)17(10-12)19-15-4-3-5-16(11-15)20-18(21)14-8-9-14/h3-5,11-14,17,19H,6-10H2,1-2H3,(H,20,21)
InChIKeyYPEYMFWBWPPYQX-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dimethylcyclohexyl)amino]phenol
CID 64776789
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide
CID 166375292
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
CID 64761440
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 106593465
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 62848369

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide (CID 64773730) is N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide is CC1CCC(C)C(Nc2cccc(NC(=O)C3CC3)c2)C1.
What is the InChIKey of N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is YPEYMFWBWPPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-6-7-13(2)17(10-12)19-15-4-3-5-16(11-15)20-18(21)14-8-9-14/h3-5,11-14,17,19H,6-10H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 64773730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).