4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide

C14H18N2O2 — CID 79211304

IUPAC4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-18-13-7-5-12(6-8-13)16-14(17)10-3-4-11(15)9-10/h3-8,10-11H,2,9,15H2,1H3,(H,16,17)
InChIKeyKEAFQIQXBKILJY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211304) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211304
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-18-13-7-5-12(6-8-13)16-14(17)10-3-4-11(15)9-10/h3-8,10-11H,2,9,15H2,1H3,(H,16,17)
InChIKeyKEAFQIQXBKILJY-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
CID 79211338
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
(1R,2S,3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98283674
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 79211304) is 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide is CCOc1ccc(NC(=O)C2C=CC(N)C2)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is KEAFQIQXBKILJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-18-13-7-5-12(6-8-13)16-14(17)10-3-4-11(15)9-10/h3-8,10-11H,2,9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).