4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide

C16H20N2O3 — CID 75447048

IUPAC4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCCCO)cc1)C1=CCCC1
InChIInChI=1S/C16H20N2O3/c19-11-3-10-17-15(20)13-6-8-14(9-7-13)18-16(21)12-4-1-2-5-12/h4,6-9,19H,1-3,5,10-11H2,(H,17,20)(H,18,21)
InChIKeyIYEIKFKFCILYPH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.85
Rot. Bonds6

About 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide

4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide (PubChem CID 75447048) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide
PubChem CID75447048
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide
SMILESO=C(Nc1ccc(C(=O)NCCCO)cc1)C1=CCCC1
InChIInChI=1S/C16H20N2O3/c19-11-3-10-17-15(20)13-6-8-14(9-7-13)18-16(21)12-4-1-2-5-12/h4,6-9,19H,1-3,5,10-11H2,(H,17,20)(H,18,21)
InChIKeyIYEIKFKFCILYPH-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
CID 111778041
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767468
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide (CID 75447048) is 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide is O=C(Nc1ccc(C(=O)NCCCO)cc1)C1=CCCC1.
What is the InChIKey of 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide?
The InChIKey is IYEIKFKFCILYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-11-3-10-17-15(20)13-6-8-14(9-7-13)18-16(21)12-4-1-2-5-12/h4,6-9,19H,1-3,5,10-11H2,(H,17,20)(H,18,21).
What are the key properties of 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide?
4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentene-1-carbonylamino)-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 75447048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).