4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide

C16H20N2O3 — CID 110015373

IUPAC4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CCCC2O)cc1
InChIInChI=1S/C16H20N2O3/c1-2-10-17-15(20)11-6-8-12(9-7-11)18-16(21)13-4-3-5-14(13)19/h2,6-9,13-14,19H,1,3-5,10H2,(H,17,20)(H,18,21)
InChIKeyNIIUOPUUBQZUBB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.70
Rot. Bonds5

About 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide

4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide (PubChem CID 110015373) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
PubChem CID110015373
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CCCC2O)cc1
InChIInChI=1S/C16H20N2O3/c1-2-10-17-15(20)11-6-8-12(9-7-11)18-16(21)13-4-3-5-14(13)19/h2,6-9,13-14,19H,1,3-5,10H2,(H,17,20)(H,18,21)
InChIKeyNIIUOPUUBQZUBB-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-phenylbenzamide
CID 110015510
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119740941
N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
CID 155945860
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
3-[[4-(prop-2-enylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 56796384
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide
CID 64919057
4-formamido-N-prop-2-enylbenzamide
CID 64992358

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide (CID 110015373) is 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)C2CCCC2O)cc1.
What is the InChIKey of 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is NIIUOPUUBQZUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-10-17-15(20)11-6-8-12(9-7-11)18-16(21)13-4-3-5-14(13)19/h2,6-9,13-14,19H,1,3-5,10H2,(H,17,20)(H,18,21).
What are the key properties of 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide?
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 110015373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).