N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

C24H27FN2O5 — CID 42861566

IUPACN-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CN(CC1CN(C(=O)c2ccccc2F)CCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H27FN2O5/c1-16(2)12-27(23(28)17-7-8-21-22(11-17)32-15-31-21)14-18-13-26(9-10-30-18)24(29)19-5-3-4-6-20(19)25/h3-8,11,16,18H,9-10,12-15H2,1-2H3
InChIKeyWERMHSFPHSGPBJ-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.19
Rot. Bonds6

About N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 42861566) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID42861566
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC NameN-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CN(CC1CN(C(=O)c2ccccc2F)CCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H27FN2O5/c1-16(2)12-27(23(28)17-7-8-21-22(11-17)32-15-31-21)14-18-13-26(9-10-30-18)24(29)19-5-3-4-6-20(19)25/h3-8,11,16,18H,9-10,12-15H2,1-2H3
InChIKeyWERMHSFPHSGPBJ-UHFFFAOYSA-N
XLogP3.19
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 46059624
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
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
4-fluoro-N-(2-methylpropyl)-N-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 46059529
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
N-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (CID 42861566) is N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is CC(C)CN(CC1CN(C(=O)c2ccccc2F)CCO1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WERMHSFPHSGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-16(2)12-27(23(28)17-7-8-21-22(11-17)32-15-31-21)14-18-13-26(9-10-30-18)24(29)19-5-3-4-6-20(19)25/h3-8,11,16,18H,9-10,12-15H2,1-2H3.
What are the key properties of N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42861566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).