4-hexylmorpholine-3-carboxamide

C11H22N2O2 — CID 174697838

IUPAC4-hexylmorpholine-3-carboxamide
SMILESCCCCCCN1CCOCC1C(N)=O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-13-7-8-15-9-10(13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyIXJLSDLUJQRJRY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds6

About 4-hexylmorpholine-3-carboxamide

4-hexylmorpholine-3-carboxamide (PubChem CID 174697838) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-hexylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-hexylmorpholine-3-carboxamide
PubChem CID174697838
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-hexylmorpholine-3-carboxamide
SMILESCCCCCCN1CCOCC1C(N)=O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-13-7-8-15-9-10(13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyIXJLSDLUJQRJRY-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyanopropyl)morpholine-3-carboxamide
CID 83093014
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
CID 83096482
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
CID 83099476
3,4-di(tridecyl)morpholine
CID 172742724
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
4-[3-(3-aminopyrazol-1-yl)propyl]morpholine-3-carboxamide
CID 83102233
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
1-butylpyrrolidine-2-carboxamide
CID 19388617
(3S)-4-[2-(4-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 97157333

Frequently Asked Questions

What is the IUPAC name of 4-hexylmorpholine-3-carboxamide?
The IUPAC name of 4-hexylmorpholine-3-carboxamide (CID 174697838) is 4-hexylmorpholine-3-carboxamide.
What is the SMILES notation for 4-hexylmorpholine-3-carboxamide?
The canonical SMILES for 4-hexylmorpholine-3-carboxamide is CCCCCCN1CCOCC1C(N)=O.
What is the InChIKey of 4-hexylmorpholine-3-carboxamide?
The InChIKey is IXJLSDLUJQRJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-5-6-13-7-8-15-9-10(13)11(12)14/h10H,2-9H2,1H3,(H2,12,14).
What are the key properties of 4-hexylmorpholine-3-carboxamide?
4-hexylmorpholine-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylmorpholine-3-carboxamide is sourced from PubChem (CID 174697838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).