N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide

C17H27N3O — CID 104689012

IUPACN-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
SMILESCCC1CCCCCN1CC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C17H27N3O/c1-3-15-7-5-4-6-10-20(15)12-17(21)19-16-9-8-14(18)11-13(16)2/h8-9,11,15H,3-7,10,12,18H2,1-2H3,(H,19,21)
InChIKeyXKVTZOWPHAONFF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.17
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide

N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide (PubChem CID 104689012) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
PubChem CID104689012
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
SMILESCCC1CCCCCN1CC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C17H27N3O/c1-3-15-7-5-4-6-10-20(15)12-17(21)19-16-9-8-14(18)11-13(16)2/h8-9,11,15H,3-7,10,12,18H2,1-2H3,(H,19,21)
InChIKeyXKVTZOWPHAONFF-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.17
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-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-(4-amino-2-methoxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406482
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide (CID 104689012) is N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide is CCC1CCCCCN1CC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide?
The InChIKey is XKVTZOWPHAONFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15-7-5-4-6-10-20(15)12-17(21)19-16-9-8-14(18)11-13(16)2/h8-9,11,15H,3-7,10,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide?
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide is sourced from PubChem (CID 104689012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).