N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide

C17H22N2O3 — CID 167861171

IUPACN-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N(CC)C2CCCC2)c1
InChIInChI=1S/C17H22N2O3/c1-3-16(21)18-12-9-10-15(20)14(11-12)17(22)19(4-2)13-7-5-6-8-13/h3,9-11,13,20H,1,4-8H2,2H3,(H,18,21)
InChIKeyHVHVDPXTAHOKJX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.92
Rot. Bonds5

About N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide

N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide (PubChem CID 167861171) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
PubChem CID167861171
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N(CC)C2CCCC2)c1
InChIInChI=1S/C17H22N2O3/c1-3-16(21)18-12-9-10-15(20)14(11-12)17(22)19(4-2)13-7-5-6-8-13/h3,9-11,13,20H,1,4-8H2,2H3,(H,18,21)
InChIKeyHVHVDPXTAHOKJX-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide
CID 166408693
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-hydroxy-N-methyl-5-(prop-2-enoylamino)benzamide
CID 166412474
N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420336
N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
CID 166408627
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
N-cyclopentyl-N-ethyl-4-(methylamino)pyridine-3-carboxamide
CID 81242486
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-cyclopentyl-N-ethyl-4-(methylamino)benzamide
CID 62169892
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
2-hydroxy-N-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)-5-(prop-2-enoylamino)benzamide
CID 166410931
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide (CID 167861171) is N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(O)c(C(=O)N(CC)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The InChIKey is HVHVDPXTAHOKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-16(21)18-12-9-10-15(20)14(11-12)17(22)19(4-2)13-7-5-6-8-13/h3,9-11,13,20H,1,4-8H2,2H3,(H,18,21).
What are the key properties of N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide?
N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide has a molecular weight of 302.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 167861171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).