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

C14H19N3O3 — CID 120916743

IUPAC(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C14H19N3O3/c1-9-13(15-7-8-20-9)14(19)17-12-5-3-11(4-6-12)16-10(2)18/h3-6,9,13,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)/t9-,13+/m1/s1
InChIKeyDNSRYILCZXVVAX-RNCFNFMXSA-N
MW277.32 g/mol
LogP0.96
Rot. Bonds3

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

(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120916743) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
PubChem CID120916743
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C14H19N3O3/c1-9-13(15-7-8-20-9)14(19)17-12-5-3-11(4-6-12)16-10(2)18/h3-6,9,13,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)/t9-,13+/m1/s1
InChIKeyDNSRYILCZXVVAX-RNCFNFMXSA-N
XLogP0.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(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)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120920707

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide (CID 120916743) is (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is DNSRYILCZXVVAX-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-13(15-7-8-20-9)14(19)17-12-5-3-11(4-6-12)16-10(2)18/h3-6,9,13,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120916743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).