2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide

C16H26N2O2 — CID 120992155

IUPAC2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11-8-6-7-9-12(11)14(16(2,3)4)18-15(19)13(17)10-20-5/h6-9,13-14H,10,17H2,1-5H3,(H,18,19)
InChIKeyMCJPWMDFADMWPY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide

2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide (PubChem CID 120992155) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide
PubChem CID120992155
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11-8-6-7-9-12(11)14(16(2,3)4)18-15(19)13(17)10-20-5/h6-9,13-14H,10,17H2,1-5H3,(H,18,19)
InChIKeyMCJPWMDFADMWPY-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide 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-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
CID 120992421
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119808436
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide
CID 154842733
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
CID 120990602
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
4-acetyl-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-1,4-diazepane-1-carboxamide
CID 71923749

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide (CID 120992155) is 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide is COCC(N)C(=O)NC(c1ccccc1C)C(C)(C)C.
What is the InChIKey of 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide?
The InChIKey is MCJPWMDFADMWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-6-7-9-12(11)14(16(2,3)4)18-15(19)13(17)10-20-5/h6-9,13-14H,10,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide?
2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide is sourced from PubChem (CID 120992155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).