(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide

C15H30N2O3 — CID 129429318

IUPAC(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](C)C[C@H](C)NC(=O)N1CCOC[C@@H]1C[C@H](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)/t11-,12-,13-,14-/m0/s1
InChIKeyKIHQIPBWHYTYQJ-XUXIUFHCSA-N
MW286.42 g/mol
LogP1.99
Rot. Bonds6

About (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide

(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide (PubChem CID 129429318) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
PubChem CID129429318
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](C)C[C@H](C)NC(=O)N1CCOC[C@@H]1C[C@H](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)/t11-,12-,13-,14-/m0/s1
InChIKeyKIHQIPBWHYTYQJ-XUXIUFHCSA-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

Analyze (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 95969405
(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 99855644
(3S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 100907589
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide
CID 124728457
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963970

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide (CID 129429318) is (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide is CC[C@H](C)C[C@H](C)NC(=O)N1CCOC[C@@H]1C[C@H](C)O.
What is the InChIKey of (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide?
The InChIKey is KIHQIPBWHYTYQJ-XUXIUFHCSA-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)/t11-,12-,13-,14-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide?
(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-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 (3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 129429318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).