4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide

C17H27N3O — CID 63358840

IUPAC4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-3-19-17(21)13-8-9-15(18)16(10-13)20-11-14-7-5-4-6-12(14)2/h8-10,12,14,20H,3-7,11,18H2,1-2H3,(H,19,21)
InChIKeyAHVXPUKGSVJVNO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.26
Rot. Bonds5

About 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide

4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide (PubChem CID 63358840) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
PubChem CID63358840
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-3-19-17(21)13-8-9-15(18)16(10-13)20-11-14-7-5-4-6-12(14)2/h8-10,12,14,20H,3-7,11,18H2,1-2H3,(H,19,21)
InChIKeyAHVXPUKGSVJVNO-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 60934848
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide (CID 63358840) is 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide is CCNC(=O)c1ccc(N)c(NCC2CCCCC2C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide?
The InChIKey is AHVXPUKGSVJVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-17(21)13-8-9-15(18)16(10-13)20-11-14-7-5-4-6-12(14)2/h8-10,12,14,20H,3-7,11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide?
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide is sourced from PubChem (CID 63358840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).