3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide

C15H30N2O3 — CID 86795742

IUPAC3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide
SMILESCCC(C)CC(C)NC(=O)N1CCOCC1CC(C)O
InChIInChI=1S/C15H30N2O3/c1-5-11(2)8-12(3)16-15(19)17-6-7-20-10-14(17)9-13(4)18/h11-14,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyKIHQIPBWHYTYQJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.99
Rot. Bonds6

About 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide

3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide (PubChem CID 86795742) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide
PubChem CID86795742
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide
SMILESCCC(C)CC(C)NC(=O)N1CCOCC1CC(C)O
InChIInChI=1S/C15H30N2O3/c1-5-11(2)8-12(3)16-15(19)17-6-7-20-10-14(17)9-13(4)18/h11-14,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyKIHQIPBWHYTYQJ-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 110311485
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide
CID 71922578
N-(2-cyclopentylethyl)-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 75509294
3-hydroxy-3-methyl-N-(oxepan-4-yl)piperidine-1-carboxamide
CID 126805696
3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 123817928
3-(2-hydroxypropyl)-N-[4-(trifluoromethyl)cyclohexyl]morpholine-4-carboxamide
CID 84600115
3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 91660791
(3R)-3-[(2S)-2-hydroxypropyl]-N-[4-(trifluoromethyl)cyclohexyl]morpholine-4-carboxamide
CID 97615409
(3R)-3-[(2R)-2-hydroxypropyl]-N-[4-(trifluoromethyl)cyclohexyl]morpholine-4-carboxamide
CID 97615410
(3S)-3-[(2S)-2-hydroxypropyl]-N-[4-(trifluoromethyl)cyclohexyl]morpholine-4-carboxamide
CID 97615411
(3S)-3-[(2R)-2-hydroxypropyl]-N-[4-(trifluoromethyl)cyclohexyl]morpholine-4-carboxamide
CID 97615412
(3R)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 99855642

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide (CID 86795742) is 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide is CCC(C)CC(C)NC(=O)N1CCOCC1CC(C)O.
What is the InChIKey of 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide?
The InChIKey is KIHQIPBWHYTYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-11(2)8-12(3)16-15(19)17-6-7-20-10-14(17)9-13(4)18/h11-14,18H,5-10H2,1-4H3,(H,16,19).
What are the key properties of 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide?
3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 86795742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).