3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide

C22H35N3O — CID 109014975

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C22H35N3O/c1-4-25(5-2)20-11-12-21(18(3)17-20)24-22(26)14-16-23-15-13-19-9-7-6-8-10-19/h9,11-12,17,23H,4-8,10,13-16H2,1-3H3,(H,24,26)
InChIKeyHKFVWUDFWRYZJZ-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.65
Rot. Bonds10

About 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide

3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide (PubChem CID 109014975) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
PubChem CID109014975
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C22H35N3O/c1-4-25(5-2)20-11-12-21(18(3)17-20)24-22(26)14-16-23-15-13-19-9-7-6-8-10-19/h9,11-12,17,23H,4-8,10,13-16H2,1-3H3,(H,24,26)
InChIKeyHKFVWUDFWRYZJZ-UHFFFAOYSA-N
XLogP4.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108943043
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113159780
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109020065
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014952
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide (CID 109014975) is 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCNCCC2=CCCCC2)c(C)c1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The InChIKey is HKFVWUDFWRYZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-4-25(5-2)20-11-12-21(18(3)17-20)24-22(26)14-16-23-15-13-19-9-7-6-8-10-19/h9,11-12,17,23H,4-8,10,13-16H2,1-3H3,(H,24,26).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide?
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide has a molecular weight of 357.54 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 109014975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).