N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide

C17H23NO — CID 71304909

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
SMILESCC(C(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-14(16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,18,19)
InChIKeyNZWWWQHUDNCALR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide (PubChem CID 71304909) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
PubChem CID71304909
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
SMILESCC(C(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-14(16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,18,19)
InChIKeyNZWWWQHUDNCALR-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 163343249
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 131907820
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide (CID 71304909) is N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide is CC(C(=O)NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide?
The InChIKey is NZWWWQHUDNCALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14(16-10-6-3-7-11-16)17(19)18-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 71304909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).