N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide

C22H26N2O4 — CID 71357848

IUPACN-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
SMILESO=C(NCCCO)c1ccc(C=Cc2ccc(C(=O)NCCCO)cc2)cc1
InChIInChI=1S/C22H26N2O4/c25-15-1-13-23-21(27)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)22(28)24-14-2-16-26/h3-12,25-26H,1-2,13-16H2,(H,23,27)(H,24,28)
InChIKeyLKUUKRTUUJSTLE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.08
Rot. Bonds10

About N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide

N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide (PubChem CID 71357848) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
PubChem CID71357848
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
SMILESO=C(NCCCO)c1ccc(C=Cc2ccc(C(=O)NCCCO)cc2)cc1
InChIInChI=1S/C22H26N2O4/c25-15-1-13-23-21(27)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)22(28)24-14-2-16-26/h3-12,25-26H,1-2,13-16H2,(H,23,27)(H,24,28)
InChIKeyLKUUKRTUUJSTLE-UHFFFAOYSA-N
XLogP2.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
CID 111778041
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
CID 98018400
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-butyl-4-formylbenzamide
CID 118474745
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
4-[[4-[(E)-prop-1-enyl]benzoyl]amino]butyl carbamate
CID 175229958

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide (CID 71357848) is N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide is O=C(NCCCO)c1ccc(C=Cc2ccc(C(=O)NCCCO)cc2)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide?
The InChIKey is LKUUKRTUUJSTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-15-1-13-23-21(27)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)22(28)24-14-2-16-26/h3-12,25-26H,1-2,13-16H2,(H,23,27)(H,24,28).
What are the key properties of N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide?
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.08, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide is sourced from PubChem (CID 71357848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).