N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide

C20H24N2O5 — CID 141154638

IUPACN-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1OCCC
InChIInChI=1S/C20H24N2O5/c1-3-11-26-17-10-7-15(13-18(17)27-12-4-2)19(23)21-16-8-5-14(6-9-16)20(24)22-25/h5-10,13,25H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVILFANJRKWQMFH-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.64
Rot. Bonds9

About N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide

N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide (PubChem CID 141154638) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
PubChem CID141154638
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1OCCC
InChIInChI=1S/C20H24N2O5/c1-3-11-26-17-10-7-15(13-18(17)27-12-4-2)19(23)21-16-8-5-14(6-9-16)20(24)22-25/h5-10,13,25H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVILFANJRKWQMFH-UHFFFAOYSA-N
XLogP3.64
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
CID 87611556
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide?
The IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide (CID 141154638) is N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide.
What is the SMILES notation for N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide?
The canonical SMILES for N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1OCCC.
What is the InChIKey of N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide?
The InChIKey is VILFANJRKWQMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-11-26-17-10-7-15(13-18(17)27-12-4-2)19(23)21-16-8-5-14(6-9-16)20(24)22-25/h5-10,13,25H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide?
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide is sourced from PubChem (CID 141154638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).