N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide

C16H18N2O3 — CID 28661961

IUPACN-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(O)cc2O)c1
InChIInChI=1S/C16H18N2O3/c1-2-16(21)18-13-5-3-4-12(8-13)17-10-11-6-7-14(19)9-15(11)20/h3-9,17,19-20H,2,10H2,1H3,(H,18,21)
InChIKeyRJFGQZPPCVIKGD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds5

About N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide

N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide (PubChem CID 28661961) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
PubChem CID28661961
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(O)cc2O)c1
InChIInChI=1S/C16H18N2O3/c1-2-16(21)18-13-5-3-4-12(8-13)17-10-11-6-7-14(19)9-15(11)20/h3-9,17,19-20H,2,10H2,1H3,(H,18,21)
InChIKeyRJFGQZPPCVIKGD-UHFFFAOYSA-N
XLogP3.06
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]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-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide (CID 28661961) is N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccc(O)cc2O)c1.
What is the InChIKey of N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide?
The InChIKey is RJFGQZPPCVIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-16(21)18-13-5-3-4-12(8-13)17-10-11-6-7-14(19)9-15(11)20/h3-9,17,19-20H,2,10H2,1H3,(H,18,21).
What are the key properties of N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide?
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide has a molecular weight of 286.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 28661961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).