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

C25H30N2O5 — CID 46059626

IUPACN-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C25H30N2O5/c1-17(2)13-27(25(29)20-8-9-22-23(12-20)32-16-31-22)15-21-14-26(10-11-30-21)24(28)19-6-4-18(3)5-7-19/h4-9,12,17,21H,10-11,13-16H2,1-3H3
InChIKeyNYRLZHURWHUROD-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.36
Rot. Bonds6

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

N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 46059626) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID46059626
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C25H30N2O5/c1-17(2)13-27(25(29)20-8-9-22-23(12-20)32-16-31-22)15-21-14-26(10-11-30-21)24(28)19-6-4-18(3)5-7-19/h4-9,12,17,21H,10-11,13-16H2,1-3H3
InChIKeyNYRLZHURWHUROD-UHFFFAOYSA-N
XLogP3.36
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.36
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
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 46059624
N-(2-methoxyethyl)-4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059667
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
N-(2-methoxyethyl)-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46041170
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623
N-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46060121

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (CID 46059626) is N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is Cc1ccc(C(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1.
What is the InChIKey of N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is NYRLZHURWHUROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-17(2)13-27(25(29)20-8-9-22-23(12-20)32-16-31-22)15-21-14-26(10-11-30-21)24(28)19-6-4-18(3)5-7-19/h4-9,12,17,21H,10-11,13-16H2,1-3H3.
What are the key properties of N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46059626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).