(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide

C16H24N2O3 — CID 120926448

IUPAC(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-11(2)21-14-7-5-13(6-8-14)18-16(19)15-12(3)20-10-9-17-15/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)/t11?,12-,15+/m1/s1
InChIKeyTUOWSHOEWZDNQW-ZCADOIRISA-N
MW292.38 g/mol
LogP2.18
Rot. Bonds5

About (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120926448) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
PubChem CID120926448
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-11(2)21-14-7-5-13(6-8-14)18-16(19)15-12(3)20-10-9-17-15/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)/t11?,12-,15+/m1/s1
InChIKeyTUOWSHOEWZDNQW-ZCADOIRISA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
CID 120935486
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide (CID 120926448) is (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide is CCC(C)Oc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is TUOWSHOEWZDNQW-ZCADOIRISA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-11(2)21-14-7-5-13(6-8-14)18-16(19)15-12(3)20-10-9-17-15/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)/t11?,12-,15+/m1/s1.
What are the key properties of (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120926448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).