N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide

C16H24N2O — CID 31969965

IUPACN-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
SMILESCN(C)Cc1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-18(2)12-14-10-6-7-11-15(14)17-16(19)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyWPRUASIDUKSBRS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.27
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide

N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide (PubChem CID 31969965) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
PubChem CID31969965
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
SMILESCN(C)Cc1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-18(2)12-14-10-6-7-11-15(14)17-16(19)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyWPRUASIDUKSBRS-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 43044561
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide (CID 31969965) is N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide is CN(C)Cc1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is WPRUASIDUKSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(2)12-14-10-6-7-11-15(14)17-16(19)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide?
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 31969965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).