N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide

C16H20N2O2 — CID 749387

IUPACN-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-11(19)17-12-4-6-13(7-5-12)18-14-8-15(20)10-16(2,3)9-14/h4-8,18H,9-10H2,1-3H3,(H,17,19)
InChIKeyHSFLSRSZBGYUGK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.33
Rot. Bonds3

About N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide

N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide (PubChem CID 749387) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide
PubChem CID749387
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-11(19)17-12-4-6-13(7-5-12)18-14-8-15(20)10-16(2,3)9-14/h4-8,18H,9-10H2,1-3H3,(H,17,19)
InChIKeyHSFLSRSZBGYUGK-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide (CID 749387) is N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1.
What is the InChIKey of N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide?
The InChIKey is HSFLSRSZBGYUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(19)17-12-4-6-13(7-5-12)18-14-8-15(20)10-16(2,3)9-14/h4-8,18H,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide?
N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]acetamide is sourced from PubChem (CID 749387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).