N-ethyl-1,4-diazepane-1-carboxamide

C8H17N3O — CID 43164794

IUPACN-ethyl-1,4-diazepane-1-carboxamide
SMILESCCNC(=O)N1CCCNCC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(12)11-6-3-4-9-5-7-11/h9H,2-7H2,1H3,(H,10,12)
InChIKeyNIOVKJYCMIDNPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.01
Rot. Bonds1

About N-ethyl-1,4-diazepane-1-carboxamide

N-ethyl-1,4-diazepane-1-carboxamide (PubChem CID 43164794) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,4-diazepane-1-carboxamide
PubChem CID43164794
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-ethyl-1,4-diazepane-1-carboxamide
SMILESCCNC(=O)N1CCCNCC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(12)11-6-3-4-9-5-7-11/h9H,2-7H2,1H3,(H,10,12)
InChIKeyNIOVKJYCMIDNPA-UHFFFAOYSA-N
XLogP0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-ethyl-1,4-diazepane-1-carboxamide (CID 43164794) is N-ethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-ethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-ethyl-1,4-diazepane-1-carboxamide is CCNC(=O)N1CCCNCC1.
What is the InChIKey of N-ethyl-1,4-diazepane-1-carboxamide?
The InChIKey is NIOVKJYCMIDNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-10-8(12)11-6-3-4-9-5-7-11/h9H,2-7H2,1H3,(H,10,12).
What are the key properties of N-ethyl-1,4-diazepane-1-carboxamide?
N-ethyl-1,4-diazepane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 43164794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).