N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide

C13H24N2O2 — CID 79553142

IUPACN-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
SMILESCCN(C)C(=O)N1CCCCCC1CC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-14(3)13(17)15-9-7-5-6-8-12(15)10-11(2)16/h12H,4-10H2,1-3H3
InChIKeyRQVJOLHDGUSKBN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.28
Rot. Bonds3

About N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide

N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide (PubChem CID 79553142) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
PubChem CID79553142
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
SMILESCCN(C)C(=O)N1CCCCCC1CC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-14(3)13(17)15-9-7-5-6-8-12(15)10-11(2)16/h12H,4-10H2,1-3H3
InChIKeyRQVJOLHDGUSKBN-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
CID 79559941
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide (CID 79553142) is N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide is CCN(C)C(=O)N1CCCCCC1CC(C)=O.
What is the InChIKey of N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide?
The InChIKey is RQVJOLHDGUSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-14(3)13(17)15-9-7-5-6-8-12(15)10-11(2)16/h12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide?
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide is sourced from PubChem (CID 79553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).