5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide

C14H20N2O3 — CID 130436786

IUPAC5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
SMILESNC(=O)CCCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O3/c15-13(18)3-1-2-10-16-14(19)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,17H,1-3,6,9-10H2,(H2,15,18)(H,16,19)
InChIKeyWDMPEJRAFMTDTL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds8

About 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide

5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide (PubChem CID 130436786) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide.

Molecular Properties

Compound Name5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
PubChem CID130436786
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
SMILESNC(=O)CCCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O3/c15-13(18)3-1-2-10-16-14(19)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,17H,1-3,6,9-10H2,(H2,15,18)(H,16,19)
InChIKeyWDMPEJRAFMTDTL-UHFFFAOYSA-N
XLogP1.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
[3-(4-hydroxyphenyl)propanoylamino]thiourea
CID 89489494

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide?
The IUPAC name of 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide (CID 130436786) is 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide.
What is the SMILES notation for 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide?
The canonical SMILES for 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide is NC(=O)CCCCNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide?
The InChIKey is WDMPEJRAFMTDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-13(18)3-1-2-10-16-14(19)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,17H,1-3,6,9-10H2,(H2,15,18)(H,16,19).
What are the key properties of 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide?
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide has a molecular weight of 264.32 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide is sourced from PubChem (CID 130436786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).