N-benzyl-N-(3,4-dihydroxyphenyl)propanamide

C16H17NO3 — CID 67853659

IUPACN-benzyl-N-(3,4-dihydroxyphenyl)propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C16H17NO3/c1-2-16(20)17(11-12-6-4-3-5-7-12)13-8-9-14(18)15(19)10-13/h3-10,18-19H,2,11H2,1H3
InChIKeyIEAZZBNKMSAFAT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.04
Rot. Bonds4

About N-benzyl-N-(3,4-dihydroxyphenyl)propanamide

N-benzyl-N-(3,4-dihydroxyphenyl)propanamide (PubChem CID 67853659) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-N-(3,4-dihydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(3,4-dihydroxyphenyl)propanamide
PubChem CID67853659
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-benzyl-N-(3,4-dihydroxyphenyl)propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C16H17NO3/c1-2-16(20)17(11-12-6-4-3-5-7-12)13-8-9-14(18)15(19)10-13/h3-10,18-19H,2,11H2,1H3
InChIKeyIEAZZBNKMSAFAT-UHFFFAOYSA-N
XLogP3.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-benzyl-N-(3,4-dihydroxyphenyl)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

N-(3,4-dihydroxyphenyl)-N-pentylpropanamide
CID 54195244
N-(3,4-dihydroxyphenyl)-N-octadecylpropanamide
CID 54000913
N-(3,4-dihydroxyphenyl)-N-hexylpropanamide
CID 54572400
methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate
CID 90148130
N-(3,4-dihydroxyphenyl)propanehydrazide
CID 159411729
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid
CID 58693694
N-benzyl-N-butylpropanamide
CID 12502571

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,4-dihydroxyphenyl)propanamide?
The IUPAC name of N-benzyl-N-(3,4-dihydroxyphenyl)propanamide (CID 67853659) is N-benzyl-N-(3,4-dihydroxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-N-(3,4-dihydroxyphenyl)propanamide?
The canonical SMILES for N-benzyl-N-(3,4-dihydroxyphenyl)propanamide is CCC(=O)N(Cc1ccccc1)c1ccc(O)c(O)c1.
What is the InChIKey of N-benzyl-N-(3,4-dihydroxyphenyl)propanamide?
The InChIKey is IEAZZBNKMSAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-16(20)17(11-12-6-4-3-5-7-12)13-8-9-14(18)15(19)10-13/h3-10,18-19H,2,11H2,1H3.
What are the key properties of N-benzyl-N-(3,4-dihydroxyphenyl)propanamide?
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,4-dihydroxyphenyl)propanamide is sourced from PubChem (CID 67853659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).