(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide

C16H23N3O3 — CID 120925797

IUPAC(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C16H23N3O3/c1-3-17-15(20)13-6-4-5-12(9-13)10-19-16(21)14-11(2)22-8-7-18-14/h4-6,9,11,14,18H,3,7-8,10H2,1-2H3,(H,17,20)(H,19,21)/t11-,14+/m1/s1
InChIKeyGHHGMKCUBRTSKN-RISCZKNCSA-N
MW305.38 g/mol
LogP0.43
Rot. Bonds5

About (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120925797) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120925797
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C16H23N3O3/c1-3-17-15(20)13-6-4-5-12(9-13)10-19-16(21)14-11(2)22-8-7-18-14/h4-6,9,11,14,18H,3,7-8,10H2,1-2H3,(H,17,20)(H,19,21)/t11-,14+/m1/s1
InChIKeyGHHGMKCUBRTSKN-RISCZKNCSA-N
XLogP0.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939999
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120926374
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120939024
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide (CID 120925797) is (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide is CCNC(=O)c1cccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is GHHGMKCUBRTSKN-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-17-15(20)13-6-4-5-12(9-13)10-19-16(21)14-11(2)22-8-7-18-14/h4-6,9,11,14,18H,3,7-8,10H2,1-2H3,(H,17,20)(H,19,21)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120925797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).