N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide

C15H21N3O2 — CID 43376211

IUPACN-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H21N3O2/c1-11-6-5-7-12(16)15(11)17-13(19)10-18-9-4-2-3-8-14(18)20/h5-7H,2-4,8-10,16H2,1H3,(H,17,19)
InChIKeyNTZBZQXLWOQCEG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide

N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 43376211) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID43376211
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H21N3O2/c1-11-6-5-7-12(16)15(11)17-13(19)10-18-9-4-2-3-8-14(18)20/h5-7H,2-4,8-10,16H2,1H3,(H,17,19)
InChIKeyNTZBZQXLWOQCEG-UHFFFAOYSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
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-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-amino-6-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490459
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727542
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate
CID 8573206
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
1-(2-methylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8654421
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727908
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide (CID 43376211) is N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide is Cc1cccc(N)c1NC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is NTZBZQXLWOQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-5-7-12(16)15(11)17-13(19)10-18-9-4-2-3-8-14(18)20/h5-7H,2-4,8-10,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide?
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 43376211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).