4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide

C14H28N2O3 — CID 71856712

IUPAC4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NCC(C)(C)CC(C)O)C1
InChIInChI=1S/C14H28N2O3/c1-5-16-6-7-19-12(9-16)13(18)15-10-14(3,4)8-11(2)17/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyBGWVAJBNCYHBRX-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.62
Rot. Bonds6

About 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide

4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide (PubChem CID 71856712) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
PubChem CID71856712
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NCC(C)(C)CC(C)O)C1
InChIInChI=1S/C14H28N2O3/c1-5-16-6-7-19-12(9-16)13(18)15-10-14(3,4)8-11(2)17/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyBGWVAJBNCYHBRX-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(methylamino)ethyl]morpholine-2-carboxamide
CID 119502673
4-ethyl-N-[2-(ethylamino)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119507639
4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide
CID 119574545
N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide
CID 119587494
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111480417
4-ethyl-N-[2-(4-hydroxyoxan-4-yl)ethyl]morpholine-2-carboxamide
CID 154743221
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
N-(4-aminocyclohexyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119477299
tert-butyl N-[1-[2-(methylcarbamoyl)morpholin-4-yl]butan-2-yl]carbamate
CID 136571480

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide (CID 71856712) is 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide is CCN1CCOC(C(=O)NCC(C)(C)CC(C)O)C1.
What is the InChIKey of 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide?
The InChIKey is BGWVAJBNCYHBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-16-6-7-19-12(9-16)13(18)15-10-14(3,4)8-11(2)17/h11-12,17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide?
4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide is sourced from PubChem (CID 71856712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).