N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide

C12H25N3O — CID 82239900

IUPACN,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCNC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-5-14(6-2)11(16)15-9-7-8-13-12(3,4)10-15/h13H,5-10H2,1-4H3
InChIKeyLRKYUCSKUUWJTC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds2

About N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide

N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide (PubChem CID 82239900) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide
PubChem CID82239900
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCNC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-5-14(6-2)11(16)15-9-7-8-13-12(3,4)10-15/h13H,5-10H2,1-4H3
InChIKeyLRKYUCSKUUWJTC-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide (CID 82239900) is N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide is CCN(CC)C(=O)N1CCCNC(C)(C)C1.
What is the InChIKey of N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is LRKYUCSKUUWJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-14(6-2)11(16)15-9-7-8-13-12(3,4)10-15/h13H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide?
N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-dimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 82239900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).