(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide

C17H25N3O3 — CID 97253593

IUPAC(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@H](C)[C@H]2C)c1
InChIInChI=1S/C17H25N3O3/c1-11(2)16(21)18-14-6-5-7-15(10-14)19-17(22)20-8-9-23-13(4)12(20)3/h5-7,10-13H,8-9H2,1-4H3,(H,18,21)(H,19,22)/t12-,13-/m1/s1
InChIKeyYRHCIQBVQWIKRE-CHWSQXEVSA-N
MW319.41 g/mol
LogP2.92
Rot. Bonds3

About (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide

(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide (PubChem CID 97253593) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
PubChem CID97253593
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@H](C)[C@H]2C)c1
InChIInChI=1S/C17H25N3O3/c1-11(2)16(21)18-14-6-5-7-15(10-14)19-17(22)20-8-9-23-13(4)12(20)3/h5-7,10-13H,8-9H2,1-4H3,(H,18,21)(H,19,22)/t12-,13-/m1/s1
InChIKeyYRHCIQBVQWIKRE-CHWSQXEVSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
CID 97253592
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
(2S,3R)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 97332424
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
CID 75499475
N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 75499419
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
CID 61342049
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide?
The IUPAC name of (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide (CID 97253593) is (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide is CC(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@H](C)[C@H]2C)c1.
What is the InChIKey of (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide?
The InChIKey is YRHCIQBVQWIKRE-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)16(21)18-14-6-5-7-15(10-14)19-17(22)20-8-9-23-13(4)12(20)3/h5-7,10-13H,8-9H2,1-4H3,(H,18,21)(H,19,22)/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide?
(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 97253593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).