N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide

C11H23N3O — CID 11971786

IUPACN,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCN(C)CC1
InChIInChI=1S/C11H23N3O/c1-4-13(5-2)11(15)14-8-6-7-12(3)9-10-14/h4-10H2,1-3H3
InChIKeyLWEFVBRHQXZYFO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.09
Rot. Bonds2

About N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide

N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 11971786) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID11971786
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCN(C)CC1
InChIInChI=1S/C11H23N3O/c1-4-13(5-2)11(15)14-8-6-7-12(3)9-10-14/h4-10H2,1-3H3
InChIKeyLWEFVBRHQXZYFO-UHFFFAOYSA-N
XLogP1.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide (CID 11971786) is N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide is CCN(CC)C(=O)N1CCCN(C)CC1.
What is the InChIKey of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is LWEFVBRHQXZYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-13(5-2)11(15)14-8-6-7-12(3)9-10-14/h4-10H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide?
N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 11971786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).