3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide

C15H24N2O3 — CID 82152736

IUPAC3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCCCO)cc1N
InChIInChI=1S/C15H24N2O3/c1-2-10-20-14-6-4-12(11-13(14)16)5-7-15(19)17-8-3-9-18/h4,6,11,18H,2-3,5,7-10,16H2,1H3,(H,17,19)
InChIKeyBEQPCPSBPZBWGE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds9

About 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide

3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide (PubChem CID 82152736) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
PubChem CID82152736
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCCCO)cc1N
InChIInChI=1S/C15H24N2O3/c1-2-10-20-14-6-4-12(11-13(14)16)5-7-15(19)17-8-3-9-18/h4,6,11,18H,2-3,5,7-10,16H2,1H3,(H,17,19)
InChIKeyBEQPCPSBPZBWGE-UHFFFAOYSA-N
XLogP1.49
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)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

3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
CID 84613813
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 94759139
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
CID 94760274
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide (CID 82152736) is 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide is CCCOc1ccc(CCC(=O)NCCCO)cc1N.
What is the InChIKey of 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide?
The InChIKey is BEQPCPSBPZBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-10-20-14-6-4-12(11-13(14)16)5-7-15(19)17-8-3-9-18/h4,6,11,18H,2-3,5,7-10,16H2,1H3,(H,17,19).
What are the key properties of 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide?
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 82152736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).