3-benzamido-N-hydroxy-4-propoxybenzamide

C17H18N2O4 — CID 127046660

IUPAC3-benzamido-N-hydroxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-2-10-23-15-9-8-13(17(21)19-22)11-14(15)18-16(20)12-6-4-3-5-7-12/h3-9,11,22H,2,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyDSFIJTZBFXAVRV-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.85
Rot. Bonds6

About 3-benzamido-N-hydroxy-4-propoxybenzamide

3-benzamido-N-hydroxy-4-propoxybenzamide (PubChem CID 127046660) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-benzamido-N-hydroxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-benzamido-N-hydroxy-4-propoxybenzamide
PubChem CID127046660
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-benzamido-N-hydroxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-2-10-23-15-9-8-13(17(21)19-22)11-14(15)18-16(20)12-6-4-3-5-7-12/h3-9,11,22H,2,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyDSFIJTZBFXAVRV-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-hydroxy-4-propoxybenzamide?
The IUPAC name of 3-benzamido-N-hydroxy-4-propoxybenzamide (CID 127046660) is 3-benzamido-N-hydroxy-4-propoxybenzamide.
What is the SMILES notation for 3-benzamido-N-hydroxy-4-propoxybenzamide?
The canonical SMILES for 3-benzamido-N-hydroxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-hydroxy-4-propoxybenzamide?
The InChIKey is DSFIJTZBFXAVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-10-23-15-9-8-13(17(21)19-22)11-14(15)18-16(20)12-6-4-3-5-7-12/h3-9,11,22H,2,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-benzamido-N-hydroxy-4-propoxybenzamide?
3-benzamido-N-hydroxy-4-propoxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-hydroxy-4-propoxybenzamide is sourced from PubChem (CID 127046660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).