3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide

C17H29N3O2 — CID 119855410

IUPAC3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide
SMILESCOCCN(C)CCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H29N3O2/c1-14(16(18)15-8-5-4-6-9-15)17(21)19-10-7-11-20(2)12-13-22-3/h4-6,8-9,14,16H,7,10-13,18H2,1-3H3,(H,19,21)
InChIKeyROVUNECCWUCMJI-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.41
Rot. Bonds10

About 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide

3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide (PubChem CID 119855410) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide
PubChem CID119855410
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide
SMILESCOCCN(C)CCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H29N3O2/c1-14(16(18)15-8-5-4-6-9-15)17(21)19-10-7-11-20(2)12-13-22-3/h4-6,8-9,14,16H,7,10-13,18H2,1-3H3,(H,19,21)
InChIKeyROVUNECCWUCMJI-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide 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

3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
2-amino-N-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-phenylacetamide
CID 119892857
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide (CID 119855410) is 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide is COCCN(C)CCCNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide?
The InChIKey is ROVUNECCWUCMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14(16(18)15-8-5-4-6-9-15)17(21)19-10-7-11-20(2)12-13-22-3/h4-6,8-9,14,16H,7,10-13,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide has a molecular weight of 307.44 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119855410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).