N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C27H36FN3O5 — CID 46060357

IUPACN-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(CN2CCOC(CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)c(OC)c1
InChIInChI=1S/C27H36FN3O5/c1-33-24-7-6-22(26(17-24)34-2)18-30-12-15-36-25(19-30)20-31(9-8-29-10-13-35-14-11-29)27(32)21-4-3-5-23(28)16-21/h3-7,16-17,25H,8-15,18-20H2,1-2H3
InChIKeyOXUAFYVIXNSVTP-UHFFFAOYSA-N
MW501.60 g/mol
LogP2.52
Rot. Bonds10

About N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide

N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46060357) has the molecular formula C27H36FN3O5 and a molecular weight of 501.60 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46060357
Molecular FormulaC27H36FN3O5
Molecular Weight501.60 g/mol
Exact Mass501.26
IUPAC NameN-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(CN2CCOC(CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)c(OC)c1
InChIInChI=1S/C27H36FN3O5/c1-33-24-7-6-22(26(17-24)34-2)18-30-12-15-36-25(19-30)20-31(9-8-29-10-13-35-14-11-29)27(32)21-4-3-5-23(28)16-21/h3-7,16-17,25H,8-15,18-20H2,1-2H3
InChIKeyOXUAFYVIXNSVTP-UHFFFAOYSA-N
XLogP2.52
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.60
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 42862035
N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 46060405
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
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 92988860
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 46060357) is N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(CN2CCOC(CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)c(OC)c1.
What is the InChIKey of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is OXUAFYVIXNSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O5/c1-33-24-7-6-22(26(17-24)34-2)18-30-12-15-36-25(19-30)20-31(9-8-29-10-13-35-14-11-29)27(32)21-4-3-5-23(28)16-21/h3-7,16-17,25H,8-15,18-20H2,1-2H3.
What are the key properties of N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 501.60 g/mol, XLogP of 2.52, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46060357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).