4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide

C17H27N3O — CID 63360545

IUPAC4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
SMILESCCN(c1cc(C(=O)N(C)C)ccc1N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-4-20(14-8-6-5-7-9-14)16-12-13(10-11-15(16)18)17(21)19(2)3/h10-12,14H,4-9,18H2,1-3H3
InChIKeyDFPOKHUTBPEHDX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.13
Rot. Bonds4

About 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide

4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide (PubChem CID 63360545) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
PubChem CID63360545
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
SMILESCCN(c1cc(C(=O)N(C)C)ccc1N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-4-20(14-8-6-5-7-9-14)16-12-13(10-11-15(16)18)17(21)19(2)3/h10-12,14H,4-9,18H2,1-3H3
InChIKeyDFPOKHUTBPEHDX-UHFFFAOYSA-N
XLogP3.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
CID 113444114
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
methyl 4-amino-3-[cycloheptyl(methyl)amino]benzoate
CID 82785545
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
3-[cyclohexyl(ethyl)amino]-4-nitrobenzoic acid
CID 82769713
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
CID 82992948
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
CID 65343619
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
CID 113419729
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide (CID 63360545) is 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide is CCN(c1cc(C(=O)N(C)C)ccc1N)C1CCCCC1.
What is the InChIKey of 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide?
The InChIKey is DFPOKHUTBPEHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(14-8-6-5-7-9-14)16-12-13(10-11-15(16)18)17(21)19(2)3/h10-12,14H,4-9,18H2,1-3H3.
What are the key properties of 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide?
4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63360545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).