3-(cyclohexylmethylamino)-N,N-diethylbenzamide

C18H28N2O — CID 43081416

IUPAC3-(cyclohexylmethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-3-20(4-2)18(21)16-11-8-12-17(13-16)19-14-15-9-6-5-7-10-15/h8,11-13,15,19H,3-7,9-10,14H2,1-2H3
InChIKeyXZEWJXAYNCZYFI-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds6

About 3-(cyclohexylmethylamino)-N,N-diethylbenzamide

3-(cyclohexylmethylamino)-N,N-diethylbenzamide (PubChem CID 43081416) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-N,N-diethylbenzamide
PubChem CID43081416
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(cyclohexylmethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-3-20(4-2)18(21)16-11-8-12-17(13-16)19-14-15-9-6-5-7-10-15/h8,11-13,15,19H,3-7,9-10,14H2,1-2H3
InChIKeyXZEWJXAYNCZYFI-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
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N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate
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3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-N,N-diethylbenzamide?
The IUPAC name of 3-(cyclohexylmethylamino)-N,N-diethylbenzamide (CID 43081416) is 3-(cyclohexylmethylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(cyclohexylmethylamino)-N,N-diethylbenzamide?
The canonical SMILES for 3-(cyclohexylmethylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethylamino)-N,N-diethylbenzamide?
The InChIKey is XZEWJXAYNCZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(4-2)18(21)16-11-8-12-17(13-16)19-14-15-9-6-5-7-10-15/h8,11-13,15,19H,3-7,9-10,14H2,1-2H3.
What are the key properties of 3-(cyclohexylmethylamino)-N,N-diethylbenzamide?
3-(cyclohexylmethylamino)-N,N-diethylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 43081416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).