N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide

C12H18N2O2 — CID 19881558

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

About N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide

N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide (PubChem CID 19881558) 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-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide
PubChem CID19881558
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CN(C)C(=O)C1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)10-7-6-8-13(3)11(15)9-10/h6-8H,4-5,9H2,1-3H3
InChIKeyRZDYWGSQSLQPQR-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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide (CID 19881558) is N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide is CCN(CC)C(=O)C1=CC=CN(C)C(=O)C1.
What is the InChIKey of N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide?
The InChIKey is RZDYWGSQSLQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)10-7-6-8-13(3)11(15)9-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-carboxamide?
N,N-diethyl-1-methyl-2-oxo-3H-azepine-4-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-4-carboxamide is sourced from PubChem (CID 19881558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).