3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

C17H20N2O2 — CID 107210228

IUPAC3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESNc1ccc(CCC(=O)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C17H20N2O2/c18-16-7-4-13(5-8-16)6-9-17(21)19-11-14-2-1-3-15(10-14)12-20/h1-5,7-8,10,20H,6,9,11-12,18H2,(H,19,21)
InChIKeyZSVOOUDIQUBBMA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds6

About 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 107210228) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID107210228
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESNc1ccc(CCC(=O)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C17H20N2O2/c18-16-7-4-13(5-8-16)6-9-17(21)19-11-14-2-1-3-15(10-14)12-20/h1-5,7-8,10,20H,6,9,11-12,18H2,(H,19,21)
InChIKeyZSVOOUDIQUBBMA-UHFFFAOYSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107218439
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
N-[[3-(hydroxymethyl)phenyl]methyl]but-2-ynamide
CID 106741557

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (CID 107210228) is 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is Nc1ccc(CCC(=O)NCc2cccc(CO)c2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is ZSVOOUDIQUBBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-16-7-4-13(5-8-16)6-9-17(21)19-11-14-2-1-3-15(10-14)12-20/h1-5,7-8,10,20H,6,9,11-12,18H2,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 107210228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).