N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide

C19H25NO — CID 23459464

IUPACN-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide
SMILESCCN(C(C)=O)C(C)CC1(c2ccccc2)C=CCC=C1
InChIInChI=1S/C19H25NO/c1-4-20(17(3)21)16(2)15-19(13-9-6-10-14-19)18-11-7-5-8-12-18/h5,7-14,16H,4,6,15H2,1-3H3
InChIKeyGTMDUDKWGMTCEW-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.09
Rot. Bonds5

About N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide

N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide (PubChem CID 23459464) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide
PubChem CID23459464
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide
SMILESCCN(C(C)=O)C(C)CC1(c2ccccc2)C=CCC=C1
InChIInChI=1S/C19H25NO/c1-4-20(17(3)21)16(2)15-19(13-9-6-10-14-19)18-11-7-5-8-12-18/h5,7-14,16H,4,6,15H2,1-3H3
InChIKeyGTMDUDKWGMTCEW-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
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-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide (CID 23459464) is N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide is CCN(C(C)=O)C(C)CC1(c2ccccc2)C=CCC=C1.
What is the InChIKey of N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide?
The InChIKey is GTMDUDKWGMTCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-20(17(3)21)16(2)15-19(13-9-6-10-14-19)18-11-7-5-8-12-18/h5,7-14,16H,4,6,15H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide?
N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide has a molecular weight of 283.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(1-phenylcyclohexa-2,5-dien-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 23459464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).