N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

C26H36N2O4 — CID 46060121

IUPACN-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(CN2CCOC(CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)c(OC)c1
InChIInChI=1S/C26H36N2O4/c1-19(2)15-28(26(29)21-8-6-20(3)7-9-21)18-24-17-27(12-13-32-24)16-22-10-11-23(30-4)14-25(22)31-5/h6-11,14,19,24H,12-13,15-18H2,1-5H3
InChIKeyJFKKZLPBIASHII-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.01
Rot. Bonds9

About N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 46060121) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID46060121
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(CN2CCOC(CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)c(OC)c1
InChIInChI=1S/C26H36N2O4/c1-19(2)15-28(26(29)21-8-6-20(3)7-9-21)18-24-17-27(12-13-32-24)16-22-10-11-23(30-4)14-25(22)31-5/h6-11,14,19,24H,12-13,15-18H2,1-5H3
InChIKeyJFKKZLPBIASHII-UHFFFAOYSA-N
XLogP4.01
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 42862035
N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 92988860
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46060357
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 92989898
N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989390
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 46060121) is N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is COc1ccc(CN2CCOC(CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)c(OC)c1.
What is the InChIKey of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is JFKKZLPBIASHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-19(2)15-28(26(29)21-8-6-20(3)7-9-21)18-24-17-27(12-13-32-24)16-22-10-11-23(30-4)14-25(22)31-5/h6-11,14,19,24H,12-13,15-18H2,1-5H3.
What are the key properties of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 440.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46060121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).