N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide

C19H25NO — CID 33237082

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H25NO/c21-18(20-15-12-16-8-3-1-4-9-16)19(13-7-14-19)17-10-5-2-6-11-17/h2,5-6,8,10-11H,1,3-4,7,9,12-15H2,(H,20,21)
InChIKeyMTTPLJVZQHJWRZ-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 33237082) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID33237082
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H25NO/c21-18(20-15-12-16-8-3-1-4-9-16)19(13-7-14-19)17-10-5-2-6-11-17/h2,5-6,8,10-11H,1,3-4,7,9,12-15H2,(H,20,21)
InChIKeyMTTPLJVZQHJWRZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.11
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-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
1-[2-(cyclohexen-1-yl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107855984
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide (CID 33237082) is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide is O=C(NCCC1=CCCCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is MTTPLJVZQHJWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-18(20-15-12-16-8-3-1-4-9-16)19(13-7-14-19)17-10-5-2-6-11-17/h2,5-6,8,10-11H,1,3-4,7,9,12-15H2,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 4.11, 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]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 33237082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).