N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide

C18H28N2O — CID 107176079

IUPACN-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCCCC2(C)C)c1
InChIInChI=1S/C18H28N2O/c1-4-19-13-14-8-7-9-15(12-14)20-17(21)16-10-5-6-11-18(16,2)3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3,(H,20,21)
InChIKeyLWISKDNMGGJVIY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.95
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide

N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107176079) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107176079
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCCCC2(C)C)c1
InChIInChI=1S/C18H28N2O/c1-4-19-13-14-8-7-9-15(12-14)20-17(21)16-10-5-6-11-18(16,2)3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3,(H,20,21)
InChIKeyLWISKDNMGGJVIY-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184297
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180494
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119438447

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 107176079) is N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide is CCNCc1cccc(NC(=O)C2CCCCC2(C)C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is LWISKDNMGGJVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-13-14-8-7-9-15(12-14)20-17(21)16-10-5-6-11-18(16,2)3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107176079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).