N-(2-methoxypropyl)azepane-2-carboxamide

C11H22N2O2 — CID 102694927

IUPACN-(2-methoxypropyl)azepane-2-carboxamide
SMILESCOC(C)CNC(=O)C1CCCCCN1
InChIInChI=1S/C11H22N2O2/c1-9(15-2)8-13-11(14)10-6-4-3-5-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyUUCCVZHIFABEHJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds4

About N-(2-methoxypropyl)azepane-2-carboxamide

N-(2-methoxypropyl)azepane-2-carboxamide (PubChem CID 102694927) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-methoxypropyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)azepane-2-carboxamide
PubChem CID102694927
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2-methoxypropyl)azepane-2-carboxamide
SMILESCOC(C)CNC(=O)C1CCCCCN1
InChIInChI=1S/C11H22N2O2/c1-9(15-2)8-13-11(14)10-6-4-3-5-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyUUCCVZHIFABEHJ-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)azepane-2-carboxamide?
The IUPAC name of N-(2-methoxypropyl)azepane-2-carboxamide (CID 102694927) is N-(2-methoxypropyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2-methoxypropyl)azepane-2-carboxamide?
The canonical SMILES for N-(2-methoxypropyl)azepane-2-carboxamide is COC(C)CNC(=O)C1CCCCCN1.
What is the InChIKey of N-(2-methoxypropyl)azepane-2-carboxamide?
The InChIKey is UUCCVZHIFABEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(15-2)8-13-11(14)10-6-4-3-5-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxypropyl)azepane-2-carboxamide?
N-(2-methoxypropyl)azepane-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)azepane-2-carboxamide is sourced from PubChem (CID 102694927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).