N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

C27H34ClN3O5 — CID 92988251

IUPACN-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1
InChIInChI=1S/C27H34ClN3O5/c1-21-2-4-22(5-3-21)27(33)31(11-10-29-12-15-34-16-13-29)19-25-18-30(14-17-35-25)26(32)20-36-24-8-6-23(28)7-9-24/h2-9,25H,10-20H2,1H3/t25-/m0/s1
InChIKeyONRBUVOQDJSCEA-VWLOTQADSA-N
MW516.04 g/mol
LogP2.73
Rot. Bonds9

About N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 92988251) has the molecular formula C27H34ClN3O5 and a molecular weight of 516.04 g/mol. Its IUPAC name is N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID92988251
Molecular FormulaC27H34ClN3O5
Molecular Weight516.04 g/mol
Exact Mass515.22
IUPAC NameN-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1
InChIInChI=1S/C27H34ClN3O5/c1-21-2-4-22(5-3-21)27(33)31(11-10-29-12-15-34-16-13-29)19-25-18-30(14-17-35-25)26(32)20-36-24-8-6-23(28)7-9-24/h2-9,25H,10-20H2,1H3/t25-/m0/s1
InChIKeyONRBUVOQDJSCEA-VWLOTQADSA-N
XLogP2.73
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.04
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)-N-[[(2R)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 92988261
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
N-[[4-[3-(4-chlorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42862338
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92989608
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 92988251) is N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1.
What is the InChIKey of N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ONRBUVOQDJSCEA-VWLOTQADSA-N. The full InChI is InChI=1S/C27H34ClN3O5/c1-21-2-4-22(5-3-21)27(33)31(11-10-29-12-15-34-16-13-29)19-25-18-30(14-17-35-25)26(32)20-36-24-8-6-23(28)7-9-24/h2-9,25H,10-20H2,1H3/t25-/m0/s1.
What are the key properties of N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 516.04 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 92988251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).