4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide

C18H21NO — CID 775974

IUPAC4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21NO/c1-13-6-8-15(9-7-13)18(20)19-17-11-10-14-4-2-3-5-16(14)12-17/h2-5,10-13,15H,6-9H2,1H3,(H,19,20)
InChIKeyJMTDBKGTTSOEGW-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.60
Rot. Bonds2

About 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide

4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide (PubChem CID 775974) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
PubChem CID775974
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21NO/c1-13-6-8-15(9-7-13)18(20)19-17-11-10-14-4-2-3-5-16(14)12-17/h2-5,10-13,15H,6-9H2,1H3,(H,19,20)
InChIKeyJMTDBKGTTSOEGW-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
CID 20944530
2-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 55035485
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide (CID 775974) is 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide?
The InChIKey is JMTDBKGTTSOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-6-8-15(9-7-13)18(20)19-17-11-10-14-4-2-3-5-16(14)12-17/h2-5,10-13,15H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide?
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 775974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).