N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide

C17H27N3O — CID 61450802

IUPACN-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide
SMILESCCC1CCC(N(C)CC(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C17H27N3O/c1-3-13-8-10-14(11-9-13)20(2)12-17(21)19-16-7-5-4-6-15(16)18/h4-7,13-14H,3,8-12,18H2,1-2H3,(H,19,21)
InChIKeySFSLKGGQNDBVIL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.11
Rot. Bonds5

About N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide

N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide (PubChem CID 61450802) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide
PubChem CID61450802
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide
SMILESCCC1CCC(N(C)CC(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C17H27N3O/c1-3-13-8-10-14(11-9-13)20(2)12-17(21)19-16-7-5-4-6-15(16)18/h4-7,13-14H,3,8-12,18H2,1-2H3,(H,19,21)
InChIKeySFSLKGGQNDBVIL-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide
CID 79117144
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide (CID 61450802) is N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide is CCC1CCC(N(C)CC(=O)Nc2ccccc2N)CC1.
What is the InChIKey of N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide?
The InChIKey is SFSLKGGQNDBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-13-8-10-14(11-9-13)20(2)12-17(21)19-16-7-5-4-6-15(16)18/h4-7,13-14H,3,8-12,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide?
N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 61450802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).