4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide

C24H29FN2O4 — CID 93338082

IUPAC4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN(C[C@H]1CN(C(=O)COc2ccccc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H29FN2O4/c1-18(2)14-27(24(29)19-8-10-20(25)11-9-19)16-22-15-26(12-13-30-22)23(28)17-31-21-6-4-3-5-7-21/h3-11,18,22H,12-17H2,1-2H3/t22-/m1/s1
InChIKeyWKGKNGPDNUTLBY-JOCHJYFZSA-N
MW428.50 g/mol
LogP3.23
Rot. Bonds8

About 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide

4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide (PubChem CID 93338082) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
PubChem CID93338082
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN(C[C@H]1CN(C(=O)COc2ccccc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H29FN2O4/c1-18(2)14-27(24(29)19-8-10-20(25)11-9-19)16-22-15-26(12-13-30-22)23(28)17-31-21-6-4-3-5-7-21/h3-11,18,22H,12-17H2,1-2H3/t22-/m1/s1
InChIKeyWKGKNGPDNUTLBY-JOCHJYFZSA-N
XLogP3.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-methylpropyl)-N-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 46059529
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[(2R)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 92988261
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide (CID 93338082) is 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide is CC(C)CN(C[C@H]1CN(C(=O)COc2ccccc2)CCO1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is WKGKNGPDNUTLBY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-18(2)14-27(24(29)19-8-10-20(25)11-9-19)16-22-15-26(12-13-30-22)23(28)17-31-21-6-4-3-5-7-21/h3-11,18,22H,12-17H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide?
4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 93338082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).