2,5-dihydroxy-N-(1-phenylpropyl)benzamide

C16H17NO3 — CID 107722884

IUPAC2,5-dihydroxy-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-14(11-6-4-3-5-7-11)17-16(20)13-10-12(18)8-9-15(13)19/h3-10,14,18-19H,2H2,1H3,(H,17,20)
InChIKeyGAVMRYOJXWQXFL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.98
Rot. Bonds4

About 2,5-dihydroxy-N-(1-phenylpropyl)benzamide

2,5-dihydroxy-N-(1-phenylpropyl)benzamide (PubChem CID 107722884) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(1-phenylpropyl)benzamide
PubChem CID107722884
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2,5-dihydroxy-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-14(11-6-4-3-5-7-11)17-16(20)13-10-12(18)8-9-15(13)19/h3-10,14,18-19H,2H2,1H3,(H,17,20)
InChIKeyGAVMRYOJXWQXFL-UHFFFAOYSA-N
XLogP2.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
CID 107726326
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
4-hydroxy-1-(4-methyl-N-sulfinoanilino)-2-(1-phenylpropylcarbamoyl)benzene
CID 69197012
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
CID 107028146
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673314
2-ethyl-4,5-dimethoxy-N-(1-phenylpropyl)benzamide
CID 56728765
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(1-phenylpropyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(1-phenylpropyl)benzamide (CID 107722884) is 2,5-dihydroxy-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of 2,5-dihydroxy-N-(1-phenylpropyl)benzamide?
The InChIKey is GAVMRYOJXWQXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-14(11-6-4-3-5-7-11)17-16(20)13-10-12(18)8-9-15(13)19/h3-10,14,18-19H,2H2,1H3,(H,17,20).
What are the key properties of 2,5-dihydroxy-N-(1-phenylpropyl)benzamide?
2,5-dihydroxy-N-(1-phenylpropyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 107722884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).