2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide

C15H20N2O — CID 106591567

IUPAC2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
SMILESCC(C(=O)NC1CC=CCC1)c1cccc(N)c1
InChIInChI=1S/C15H20N2O/c1-11(12-6-5-7-13(16)10-12)15(18)17-14-8-3-2-4-9-14/h2-3,5-7,10-11,14H,4,8-9,16H2,1H3,(H,17,18)
InChIKeyUEQORDULSGKHEN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide

2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide (PubChem CID 106591567) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
PubChem CID106591567
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
SMILESCC(C(=O)NC1CC=CCC1)c1cccc(N)c1
InChIInChI=1S/C15H20N2O/c1-11(12-6-5-7-13(16)10-12)15(18)17-14-8-3-2-4-9-14/h2-3,5-7,10-11,14H,4,8-9,16H2,1H3,(H,17,18)
InChIKeyUEQORDULSGKHEN-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
CID 106591319
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide (CID 106591567) is 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide is CC(C(=O)NC1CC=CCC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide?
The InChIKey is UEQORDULSGKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(12-6-5-7-13(16)10-12)15(18)17-14-8-3-2-4-9-14/h2-3,5-7,10-11,14H,4,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide?
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide is sourced from PubChem (CID 106591567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).