3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide

C16H18N2O2 — CID 107732992

IUPAC3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(N)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18N2O2/c1-18(14-6-8-15(19)9-7-14)16(20)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11,19H,5,10,17H2,1H3
InChIKeyNFZNNLOSYIRUDD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.57
Rot. Bonds4

About 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide

3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 107732992) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID107732992
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(N)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18N2O2/c1-18(14-6-8-15(19)9-7-14)16(20)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11,19H,5,10,17H2,1H3
InChIKeyNFZNNLOSYIRUDD-UHFFFAOYSA-N
XLogP2.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide (CID 107732992) is 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide is CN(C(=O)CCc1cccc(N)c1)c1ccc(O)cc1.
What is the InChIKey of 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is NFZNNLOSYIRUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(14-6-8-15(19)9-7-14)16(20)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11,19H,5,10,17H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide?
3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 107732992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).