N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide

C11H21N3O2 — CID 103101659

IUPACN-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
SMILESCCN(CC(N)=O)C(=O)N1CCCCCC1
InChIInChI=1S/C11H21N3O2/c1-2-13(9-10(12)15)11(16)14-7-5-3-4-6-8-14/h2-9H2,1H3,(H2,12,15)
InChIKeyRXBYVROFCMIDKG-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.79
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide

N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide (PubChem CID 103101659) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
PubChem CID103101659
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
SMILESCCN(CC(N)=O)C(=O)N1CCCCCC1
InChIInChI=1S/C11H21N3O2/c1-2-13(9-10(12)15)11(16)14-7-5-3-4-6-8-14/h2-9H2,1H3,(H2,12,15)
InChIKeyRXBYVROFCMIDKG-UHFFFAOYSA-N
XLogP0.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide (CID 103101659) is N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide is CCN(CC(N)=O)C(=O)N1CCCCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide?
The InChIKey is RXBYVROFCMIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-13(9-10(12)15)11(16)14-7-5-3-4-6-8-14/h2-9H2,1H3,(H2,12,15).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide?
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide is sourced from PubChem (CID 103101659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).