(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide

C17H26N2O4 — CID 120933677

IUPAC(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C17H26N2O4/c1-11(2)23-14-6-4-5-13(9-14)15(20)10-19-17(21)16-12(3)22-8-7-18-16/h4-6,9,11-12,15-16,18,20H,7-8,10H2,1-3H3,(H,19,21)/t12-,15?,16+/m1/s1
InChIKeyODKDJVFPCLLJOV-TYVLWQRCSA-N
MW322.41 g/mol
LogP1.00
Rot. Bonds6

About (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120933677) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120933677
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C17H26N2O4/c1-11(2)23-14-6-4-5-13(9-14)15(20)10-19-17(21)16-12(3)22-8-7-18-16/h4-6,9,11-12,15-16,18,20H,7-8,10H2,1-3H3,(H,19,21)/t12-,15?,16+/m1/s1
InChIKeyODKDJVFPCLLJOV-TYVLWQRCSA-N
XLogP1.00
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925276
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
CID 134068362
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200
(2R,3S)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937953

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120933677) is (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide is CC(C)Oc1cccc(C(O)CNC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is ODKDJVFPCLLJOV-TYVLWQRCSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)23-14-6-4-5-13(9-14)15(20)10-19-17(21)16-12(3)22-8-7-18-16/h4-6,9,11-12,15-16,18,20H,7-8,10H2,1-3H3,(H,19,21)/t12-,15?,16+/m1/s1.
What are the key properties of (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120933677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).