N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide

C18H25NO — CID 838042

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C18H25NO/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17/h1,3-4,8-10H,2,5-7,11-15H2,(H,19,20)
InChIKeyYEGACLKTWWCSJM-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide

N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide (PubChem CID 838042) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide
PubChem CID838042
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C18H25NO/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17/h1,3-4,8-10H,2,5-7,11-15H2,(H,19,20)
InChIKeyYEGACLKTWWCSJM-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide (CID 838042) is N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide?
The InChIKey is YEGACLKTWWCSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17/h1,3-4,8-10H,2,5-7,11-15H2,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 4.02, 7 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]-4-phenylbutanamide is sourced from PubChem (CID 838042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).