N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide

C12H23N3O2 — CID 116654823

IUPACN-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
SMILESCCNC(=O)CN(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H23N3O2/c1-3-13-11(16)10-14(2)12(17)15-8-6-4-5-7-9-15/h3-10H2,1-2H3,(H,13,16)
InChIKeyGJJPUYJJEPSOHD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.05
Rot. Bonds3

About N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide (PubChem CID 116654823) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
PubChem CID116654823
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
SMILESCCNC(=O)CN(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H23N3O2/c1-3-13-11(16)10-14(2)12(17)15-8-6-4-5-7-9-15/h3-10H2,1-2H3,(H,13,16)
InChIKeyGJJPUYJJEPSOHD-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 8895663
4-[2-(Azepan-1-yl)-2-oxoethyl]piperazin-2-one
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2-amino-N-[2-(azepan-1-yl)ethyl]acetamide
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4-(Azepane-1-carbonyl)imidazolidin-2-one
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(2S)-2-ethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]azepane-1-carboxamide
CID 95967262
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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide (CID 116654823) is N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide is CCNC(=O)CN(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide?
The InChIKey is GJJPUYJJEPSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-13-11(16)10-14(2)12(17)15-8-6-4-5-7-9-15/h3-10H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide is sourced from PubChem (CID 116654823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).