2-[2-(octan-2-ylamino)phenyl]acetamide

C16H26N2O — CID 43738518

IUPAC2-[2-(octan-2-ylamino)phenyl]acetamide
SMILESCCCCCCC(C)Nc1ccccc1CC(N)=O
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-9-13(2)18-15-11-8-7-10-14(15)12-16(17)19/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3,(H2,17,19)
InChIKeyKJBXMGXBYVXBNA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.49
Rot. Bonds9

About 2-[2-(octan-2-ylamino)phenyl]acetamide

2-[2-(octan-2-ylamino)phenyl]acetamide (PubChem CID 43738518) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(octan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(octan-2-ylamino)phenyl]acetamide
PubChem CID43738518
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(octan-2-ylamino)phenyl]acetamide
SMILESCCCCCCC(C)Nc1ccccc1CC(N)=O
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-9-13(2)18-15-11-8-7-10-14(15)12-16(17)19/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3,(H2,17,19)
InChIKeyKJBXMGXBYVXBNA-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(octan-2-ylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-[2-(3-methoxybutan-2-ylamino)phenyl]acetamide
CID 113354885
2-methyl-N-[2-[[2-(2-methylundecanoylamino)phenyl]disulfanyl]phenyl]undecanamide
CID 57116569
2-nitro-N-nonan-2-ylaniline
CID 43718170
2-(nonan-2-ylamino)benzonitrile
CID 43129839
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(octan-2-ylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(octan-2-ylamino)phenyl]acetamide (CID 43738518) is 2-[2-(octan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(octan-2-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(octan-2-ylamino)phenyl]acetamide is CCCCCCC(C)Nc1ccccc1CC(N)=O.
What is the InChIKey of 2-[2-(octan-2-ylamino)phenyl]acetamide?
The InChIKey is KJBXMGXBYVXBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-6-9-13(2)18-15-11-8-7-10-14(15)12-16(17)19/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3,(H2,17,19).
What are the key properties of 2-[2-(octan-2-ylamino)phenyl]acetamide?
2-[2-(octan-2-ylamino)phenyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(octan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43738518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).