N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide

C15H22N2O2 — CID 166448984

IUPACN-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide
SMILESCC1=CN(C(C)(C)C(=O)NC2CC2)C(=O)CC(C)=C1
InChIInChI=1S/C15H22N2O2/c1-10-7-11(2)9-17(13(18)8-10)15(3,4)14(19)16-12-5-6-12/h7,9,12H,5-6,8H2,1-4H3,(H,16,19)
InChIKeySIPCPBGDKPCUGU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.13
Rot. Bonds3

About N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide

N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide (PubChem CID 166448984) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide
PubChem CID166448984
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide
SMILESCC1=CN(C(C)(C)C(=O)NC2CC2)C(=O)CC(C)=C1
InChIInChI=1S/C15H22N2O2/c1-10-7-11(2)9-17(13(18)8-10)15(3,4)14(19)16-12-5-6-12/h7,9,12H,5-6,8H2,1-4H3,(H,16,19)
InChIKeySIPCPBGDKPCUGU-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide (CID 166448984) is N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide is CC1=CN(C(C)(C)C(=O)NC2CC2)C(=O)CC(C)=C1.
What is the InChIKey of N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide?
The InChIKey is SIPCPBGDKPCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-11(2)9-17(13(18)8-10)15(3,4)14(19)16-12-5-6-12/h7,9,12H,5-6,8H2,1-4H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide?
N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,6-dimethyl-2-oxo-3H-azepin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 166448984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).