2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide

C17H22N2O2 — CID 5057715

IUPAC2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide
SMILESCC1CC(=O)C=C(Nc2ccccc2NC(=O)C(C)C)C1
InChIInChI=1S/C17H22N2O2/c1-11(2)17(21)19-16-7-5-4-6-15(16)18-13-8-12(3)9-14(20)10-13/h4-7,10-12,18H,8-9H2,1-3H3,(H,19,21)
InChIKeyVUMJDQRTCQBHGW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.58
Rot. Bonds4

About 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide

2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide (PubChem CID 5057715) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide
PubChem CID5057715
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide
SMILESCC1CC(=O)C=C(Nc2ccccc2NC(=O)C(C)C)C1
InChIInChI=1S/C17H22N2O2/c1-11(2)17(21)19-16-7-5-4-6-15(16)18-13-8-12(3)9-14(20)10-13/h4-7,10-12,18H,8-9H2,1-3H3,(H,19,21)
InChIKeyVUMJDQRTCQBHGW-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide (CID 5057715) is 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide is CC1CC(=O)C=C(Nc2ccccc2NC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide?
The InChIKey is VUMJDQRTCQBHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)17(21)19-16-7-5-4-6-15(16)18-13-8-12(3)9-14(20)10-13/h4-7,10-12,18H,8-9H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide?
2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]propanamide is sourced from PubChem (CID 5057715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).