2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide

C16H26N2O2 — CID 62131885

IUPAC2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CC(CN)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-11-8-12(6-7-14(11)20-5)9-13(10-17)15(19)18-16(2,3)4/h6-8,13H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyNOAPRFYFYGRKDG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds5

About 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide

2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 62131885) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID62131885
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CC(CN)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-11-8-12(6-7-14(11)20-5)9-13(10-17)15(19)18-16(2,3)4/h6-8,13H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyNOAPRFYFYGRKDG-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide 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-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
CID 62082409
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide
CID 79980056
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
tert-butyl 2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)propanoate
CID 103522391
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide (CID 62131885) is 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CC(CN)C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is NOAPRFYFYGRKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-12(6-7-14(11)20-5)9-13(10-17)15(19)18-16(2,3)4/h6-8,13H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide?
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 62131885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).