N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide

C19H25NO3 — CID 110407479

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H25NO3/c1-23-17-9-5-8-16(14-17)18(21)10-11-19(22)20-13-12-15-6-3-2-4-7-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,20,22)
InChIKeyKSZYOLGKIBMHMZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.66
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110407479) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110407479
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H25NO3/c1-23-17-9-5-8-16(14-17)18(21)10-11-19(22)20-13-12-15-6-3-2-4-7-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,20,22)
InChIKeyKSZYOLGKIBMHMZ-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.66
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

[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 43916356
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 38007399
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide
CID 110632475
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
CID 109014919
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 2140693
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113121461
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
2-[2-(cyclohexen-1-yl)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 84746345

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110407479) is N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is KSZYOLGKIBMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-23-17-9-5-8-16(14-17)18(21)10-11-19(22)20-13-12-15-6-3-2-4-7-15/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 315.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110407479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).