N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide

C11H22N2O3 — CID 75443356

IUPACN-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
SMILESCCCCNC(=O)N1CCOCC1CCO
InChIInChI=1S/C11H22N2O3/c1-2-3-5-12-11(15)13-6-8-16-9-10(13)4-7-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyNEUOUKXJQCIBHA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.58
Rot. Bonds5

About N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide

N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide (PubChem CID 75443356) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
PubChem CID75443356
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
SMILESCCCCNC(=O)N1CCOCC1CCO
InChIInChI=1S/C11H22N2O3/c1-2-3-5-12-11(15)13-6-8-16-9-10(13)4-7-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyNEUOUKXJQCIBHA-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 99855644
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide?
The IUPAC name of N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide (CID 75443356) is N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide?
The canonical SMILES for N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide is CCCCNC(=O)N1CCOCC1CCO.
What is the InChIKey of N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide?
The InChIKey is NEUOUKXJQCIBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-5-12-11(15)13-6-8-16-9-10(13)4-7-14/h10,14H,2-9H2,1H3,(H,12,15).
What are the key properties of N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide?
N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 75443356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).