N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide

C12H18N2O2 — CID 19881560

IUPACN,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide
SMILESCCN(CC)C(=O)C1=CN(C)C(=O)CC=C1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)10-7-6-8-11(15)13(3)9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFYLBQKAQLGZZQT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds3

About N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide

N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide (PubChem CID 19881560) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide
PubChem CID19881560
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide
SMILESCCN(CC)C(=O)C1=CN(C)C(=O)CC=C1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)10-7-6-8-11(15)13(3)9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFYLBQKAQLGZZQT-UHFFFAOYSA-N
XLogP1.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

"N,N-diethyl-2-[[(1-ethyl-6-oxo-1,6-dihydro-3-pyridinyl)methyl](methyl)amino]acetamide"
CID 53191752
6-Hydroxy-n,n-diethylnicotinamide
CID 9899087
(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide
CID 143264073
1-Butyl-3,5-dimethylpyridin-2-one
CID 13169253
5-Ethyl-3-methyl-1-propylpyridin-2-one
CID 13169256
N-(2,2-dimethylpropyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 72019184
1-Ethyl-6-oxopyridine-3-carboxamide
CID 12791799
6-Oxo-1-propylpyridine-3-carboxamide
CID 12791800
6-Oxo-1-propan-2-ylpyridine-3-carboxamide
CID 12791802
5-Methyl-1-propylpyridin-2-one
CID 13169249
N-ethyl-1-methyl-6-oxopyridine-3-carboxamide
CID 13429624
N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide
CID 19881558

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide (CID 19881560) is N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide is CCN(CC)C(=O)C1=CN(C)C(=O)CC=C1.
What is the InChIKey of N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide?
The InChIKey is FYLBQKAQLGZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)10-7-6-8-11(15)13(3)9-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide?
N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-oxo-3H-azepine-6-carboxamide is sourced from PubChem (CID 19881560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).