2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

C24H30FN3O4 — CID 42862009

IUPAC2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccccc3F)C2)c1
InChIInChI=1S/C24H30FN3O4/c1-17(2)14-28(23(29)21-9-4-5-10-22(21)25)16-20-15-27(11-12-32-20)24(30)26-18-7-6-8-19(13-18)31-3/h4-10,13,17,20H,11-12,14-16H2,1-3H3,(H,26,30)
InChIKeyFPUDKBOADPOGRC-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.87
Rot. Bonds7

About 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (PubChem CID 42862009) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
PubChem CID42862009
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccccc3F)C2)c1
InChIInChI=1S/C24H30FN3O4/c1-17(2)14-28(23(29)21-9-4-5-10-22(21)25)16-20-15-27(11-12-32-20)24(30)26-18-7-6-8-19(13-18)31-3/h4-10,13,17,20H,11-12,14-16H2,1-3H3,(H,26,30)
InChIKeyFPUDKBOADPOGRC-UHFFFAOYSA-N
XLogP3.87
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
N-(3-chlorophenyl)-2-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46059953
N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
CID 46059962
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
(2S)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93339140
2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 42861582
4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 93338082

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (CID 42862009) is 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is COc1cccc(NC(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccccc3F)C2)c1.
What is the InChIKey of 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The InChIKey is FPUDKBOADPOGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-17(2)14-28(23(29)21-9-4-5-10-22(21)25)16-20-15-27(11-12-32-20)24(30)26-18-7-6-8-19(13-18)31-3/h4-10,13,17,20H,11-12,14-16H2,1-3H3,(H,26,30).
What are the key properties of 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 42862009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).