N-(2-amino-6-methylphenyl)-2-heptoxyacetamide

C16H26N2O2 — CID 43376791

IUPACN-(2-amino-6-methylphenyl)-2-heptoxyacetamide
SMILESCCCCCCCOCC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-11-20-12-15(19)18-16-13(2)9-8-10-14(16)17/h8-10H,3-7,11-12,17H2,1-2H3,(H,18,19)
InChIKeySCQCJXXYOLZFQP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.50
Rot. Bonds9

About N-(2-amino-6-methylphenyl)-2-heptoxyacetamide

N-(2-amino-6-methylphenyl)-2-heptoxyacetamide (PubChem CID 43376791) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-heptoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-heptoxyacetamide
PubChem CID43376791
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-amino-6-methylphenyl)-2-heptoxyacetamide
SMILESCCCCCCCOCC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-11-20-12-15(19)18-16-13(2)9-8-10-14(16)17/h8-10H,3-7,11-12,17H2,1-2H3,(H,18,19)
InChIKeySCQCJXXYOLZFQP-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788195
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
CID 107937406
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-heptoxyacetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-heptoxyacetamide (CID 43376791) is N-(2-amino-6-methylphenyl)-2-heptoxyacetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-heptoxyacetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-heptoxyacetamide is CCCCCCCOCC(=O)Nc1c(C)cccc1N.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-heptoxyacetamide?
The InChIKey is SCQCJXXYOLZFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-7-11-20-12-15(19)18-16-13(2)9-8-10-14(16)17/h8-10H,3-7,11-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-heptoxyacetamide?
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide has a molecular weight of 278.40 g/mol, XLogP of 3.50, 9 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-heptoxyacetamide is sourced from PubChem (CID 43376791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).