3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C22H32N2O3 — CID 113121461

IUPAC3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NCCC2=CCCCC2)C(C)=O)cc1
InChIInChI=1S/C22H32N2O3/c1-18(25)24(16-13-20-8-10-21(27-2)11-9-20)17-14-22(26)23-15-12-19-6-4-3-5-7-19/h6,8-11H,3-5,7,12-17H2,1-2H3,(H,23,26)
InChIKeyWVLNLEKNELGARX-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.48
Rot. Bonds10

About 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 113121461) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID113121461
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NCCC2=CCCCC2)C(C)=O)cc1
InChIInChI=1S/C22H32N2O3/c1-18(25)24(16-13-20-8-10-21(27-2)11-9-20)17-14-22(26)23-15-12-19-6-4-3-5-7-19/h6,8-11H,3-5,7,12-17H2,1-2H3,(H,23,26)
InChIKeyWVLNLEKNELGARX-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113159656
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113121514
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 113121461) is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is COc1ccc(CCN(CCC(=O)NCCC2=CCCCC2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is WVLNLEKNELGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-18(25)24(16-13-20-8-10-21(27-2)11-9-20)17-14-22(26)23-15-12-19-6-4-3-5-7-19/h6,8-11H,3-5,7,12-17H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 113121461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).