(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide

C15H21N3O3 — CID 120931899

IUPAC(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESCC(=O)NCc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C15H21N3O3/c1-10-14(16-7-8-21-10)15(20)18-13-5-3-12(4-6-13)9-17-11(2)19/h3-6,10,14,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t10-,14+/m1/s1
InChIKeyCMVBEVBLLCHVET-YGRLFVJLSA-N
MW291.35 g/mol
LogP0.64
Rot. Bonds4

About (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120931899) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120931899
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESCC(=O)NCc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C15H21N3O3/c1-10-14(16-7-8-21-10)15(20)18-13-5-3-12(4-6-13)9-17-11(2)19/h3-6,10,14,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t10-,14+/m1/s1
InChIKeyCMVBEVBLLCHVET-YGRLFVJLSA-N
XLogP0.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120938886
(2R,3S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939080
(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-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120931899) is (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide is CC(=O)NCc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is CMVBEVBLLCHVET-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-14(16-7-8-21-10)15(20)18-13-5-3-12(4-6-13)9-17-11(2)19/h3-6,10,14,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120931899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).