4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide

C16H22N2O — CID 79210719

IUPAC4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C16H22N2O/c1-3-18(11-13-6-4-5-12(2)9-13)16(19)14-7-8-15(17)10-14/h4-9,14-15H,3,10-11,17H2,1-2H3
InChIKeyQVPRBFYMKOAORP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210719) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210719
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C16H22N2O/c1-3-18(11-13-6-4-5-12(2)9-13)16(19)14-7-8-15(17)10-14/h4-9,14-15H,3,10-11,17H2,1-2H3
InChIKeyQVPRBFYMKOAORP-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435099
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
N-benzyl-2-[cyclopropyl-[(3-methylphenyl)methyl]amino]-N-ethylacetamide
CID 52676957
N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
CID 103732620
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide (CID 79210719) is 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide is CCN(Cc1cccc(C)c1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is QVPRBFYMKOAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-18(11-13-6-4-5-12(2)9-13)16(19)14-7-8-15(17)10-14/h4-9,14-15H,3,10-11,17H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).