N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide

C13H26N2O2 — CID 79559941

IUPACN-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
SMILESCCN(C)C(=O)N1CCCCCC1CC(C)O
InChIInChI=1S/C13H26N2O2/c1-4-14(3)13(17)15-9-7-5-6-8-12(15)10-11(2)16/h11-12,16H,4-10H2,1-3H3
InChIKeyQMYQMYNPMDMIJH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.07
Rot. Bonds3

About N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide

N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide (PubChem CID 79559941) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
PubChem CID79559941
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
SMILESCCN(C)C(=O)N1CCCCCC1CC(C)O
InChIInChI=1S/C13H26N2O2/c1-4-14(3)13(17)15-9-7-5-6-8-12(15)10-11(2)16/h11-12,16H,4-10H2,1-3H3
InChIKeyQMYQMYNPMDMIJH-UHFFFAOYSA-N
XLogP2.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 112603248
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propoxyethanone
CID 114018464
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide?
The IUPAC name of N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide (CID 79559941) is N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide is CCN(C)C(=O)N1CCCCCC1CC(C)O.
What is the InChIKey of N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide?
The InChIKey is QMYQMYNPMDMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14(3)13(17)15-9-7-5-6-8-12(15)10-11(2)16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide?
N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79559941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).