[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate

C17H17NO5 — CID 17370703

IUPAC[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C17H17NO5/c1-3-16(20)23-13-7-4-11(5-8-13)17(21)18-12-6-9-15(22-2)14(19)10-12/h4-10,19H,3H2,1-2H3,(H,18,21)
InChIKeyNEWLJQXCYFJZBE-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.97
Rot. Bonds5

About [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate

[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate (PubChem CID 17370703) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate.

Molecular Properties

Compound Name[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate
PubChem CID17370703
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C17H17NO5/c1-3-16(20)23-13-7-4-11(5-8-13)17(21)18-12-6-9-15(22-2)14(19)10-12/h4-10,19H,3H2,1-2H3,(H,18,21)
InChIKeyNEWLJQXCYFJZBE-UHFFFAOYSA-N
XLogP2.97
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate
CID 17360234
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
5-[(4-propanoyloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 4523280
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 66465082
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156

Frequently Asked Questions

What is the IUPAC name of [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate?
The IUPAC name of [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate (CID 17370703) is [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate.
What is the SMILES notation for [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate?
The canonical SMILES for [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate is CCC(=O)Oc1ccc(C(=O)Nc2ccc(OC)c(O)c2)cc1.
What is the InChIKey of [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate?
The InChIKey is NEWLJQXCYFJZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-16(20)23-13-7-4-11(5-8-13)17(21)18-12-6-9-15(22-2)14(19)10-12/h4-10,19H,3H2,1-2H3,(H,18,21).
What are the key properties of [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate?
[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate has a molecular weight of 315.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate is sourced from PubChem (CID 17370703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).