(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide

C17H22FN3O3 — CID 125135868

IUPAC(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide
SMILESCc1cc([C@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C2CC2)ccc1F
InChIInChI=1S/C17H22FN3O3/c1-10-8-12(4-5-13(10)18)15(11-2-3-11)20-17(23)21-6-7-24-14(9-21)16(19)22/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3,(H2,19,22)(H,20,23)/t14-,15-/m1/s1
InChIKeyOHDMKYPXBAKVFK-HUUCEWRRSA-N
MW335.38 g/mol
LogP1.48
Rot. Bonds4

About (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide

(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide (PubChem CID 125135868) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide
PubChem CID125135868
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide
SMILESCc1cc([C@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C2CC2)ccc1F
InChIInChI=1S/C17H22FN3O3/c1-10-8-12(4-5-13(10)18)15(11-2-3-11)20-17(23)21-6-7-24-14(9-21)16(19)22/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3,(H2,19,22)(H,20,23)/t14-,15-/m1/s1
InChIKeyOHDMKYPXBAKVFK-HUUCEWRRSA-N
XLogP1.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94651536
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 110354740
3-(bromomethyl)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-5-pyrrolidin-1-ylbenzamide
CID 146457150
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278
N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895511
N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892089
[(4-fluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247799
1-[[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124004
(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
CID 95697173
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
CID 124777171

Frequently Asked Questions

What is the IUPAC name of (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide?
The IUPAC name of (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide (CID 125135868) is (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide?
The canonical SMILES for (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide is Cc1cc([C@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C2CC2)ccc1F.
What is the InChIKey of (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide?
The InChIKey is OHDMKYPXBAKVFK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-10-8-12(4-5-13(10)18)15(11-2-3-11)20-17(23)21-6-7-24-14(9-21)16(19)22/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3,(H2,19,22)(H,20,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide?
(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 125135868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).