N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide

C14H27N3O2 — CID 114399899

IUPACN-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide
SMILESCCN1CCOC(CNC(=O)C2CCCCCN2)C1
InChIInChI=1S/C14H27N3O2/c1-2-17-8-9-19-12(11-17)10-16-14(18)13-6-4-3-5-7-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyRSSPSHJEWHXWID-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.36
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide

N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide (PubChem CID 114399899) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide
PubChem CID114399899
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide
SMILESCCN1CCOC(CNC(=O)C2CCCCCN2)C1
InChIInChI=1S/C14H27N3O2/c1-2-17-8-9-19-12(11-17)10-16-14(18)13-6-4-3-5-7-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyRSSPSHJEWHXWID-UHFFFAOYSA-N
XLogP0.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 79082476
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 18072457
cyclopentyl N-[(4-ethylmorpholin-2-yl)methyl]carbamate
CID 112738868
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
2-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 115976418
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114399994
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide (CID 114399899) is N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide is CCN1CCOC(CNC(=O)C2CCCCCN2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide?
The InChIKey is RSSPSHJEWHXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-17-8-9-19-12(11-17)10-16-14(18)13-6-4-3-5-7-15-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide?
N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 114399899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).