N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide

C17H24N2O — CID 28660300

IUPACN-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC1CCC(Nc2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C17H24N2O/c1-12-2-6-14(7-3-12)18-15-8-10-16(11-9-15)19-17(20)13-4-5-13/h8-14,18H,2-7H2,1H3,(H,19,20)
InChIKeySMMYNBKTLJRHMQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.03
Rot. Bonds4

About N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 28660300) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID28660300
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC1CCC(Nc2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C17H24N2O/c1-12-2-6-14(7-3-12)18-15-8-10-16(11-9-15)19-17(20)13-4-5-13/h8-14,18H,2-7H2,1H3,(H,19,20)
InChIKeySMMYNBKTLJRHMQ-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 43511624
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]cyclopropanecarboxamide
CID 81466509
2-methoxy-N-[4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43717399
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide (CID 28660300) is N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide is CC1CCC(Nc2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is SMMYNBKTLJRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-2-6-14(7-3-12)18-15-8-10-16(11-9-15)19-17(20)13-4-5-13/h8-14,18H,2-7H2,1H3,(H,19,20).
What are the key properties of N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 28660300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).