2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide

C16H26N2O2 — CID 107471998

IUPAC2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide
SMILESCOc1ccccc1N(C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)10-12(11-17)15(19)18(4)13-8-6-7-9-14(13)20-5/h6-9,12H,10-11,17H2,1-5H3
InChIKeyWCAFJUAOBKHGDK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds5

About 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide

2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide (PubChem CID 107471998) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide
PubChem CID107471998
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide
SMILESCOc1ccccc1N(C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)10-12(11-17)15(19)18(4)13-8-6-7-9-14(13)20-5/h6-9,12H,10-11,17H2,1-5H3
InChIKeyWCAFJUAOBKHGDK-UHFFFAOYSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide 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

(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
(2S)-2-amino-N-(2-methoxyphenyl)-N-methylhexanamide
CID 103831499
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
CID 135072686
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
tert-butyl 2-(2-methoxy-N-methylanilino)propanoate
CID 64689348
2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide
CID 62002449
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
CID 115186906

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide (CID 107471998) is 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide is COc1ccccc1N(C)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide?
The InChIKey is WCAFJUAOBKHGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)10-12(11-17)15(19)18(4)13-8-6-7-9-14(13)20-5/h6-9,12H,10-11,17H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107471998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).