N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide

C19H28N2O — CID 108993941

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
SMILESO=C(CNCCCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C19H28N2O/c22-19(21-15-13-18-10-5-2-6-11-18)16-20-14-7-12-17-8-3-1-4-9-17/h1,3-4,8-10,20H,2,5-7,11-16H2,(H,21,22)
InChIKeySVDIMRSZGJTADX-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide (PubChem CID 108993941) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
PubChem CID108993941
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
SMILESO=C(CNCCCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C19H28N2O/c22-19(21-15-13-18-10-5-2-6-11-18)16-20-14-7-12-17-8-3-1-4-9-17/h1,3-4,8-10,20H,2,5-7,11-16H2,(H,21,22)
InChIKeySVDIMRSZGJTADX-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]-3-(3-phenylpropylamino)propanamide
CID 109014685
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
CID 108942896
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815622
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide (CID 108993941) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide is O=C(CNCCCc1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide?
The InChIKey is SVDIMRSZGJTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(21-15-13-18-10-5-2-6-11-18)16-20-14-7-12-17-8-3-1-4-9-17/h1,3-4,8-10,20H,2,5-7,11-16H2,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 108993941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).