methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate

C20H22ClNO4 — CID 134033396

IUPACmethyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C20H22ClNO4/c1-22(13-7-12-19(23)25-2)20(24)16-9-4-6-11-18(16)26-14-15-8-3-5-10-17(15)21/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyXVUGQYZNTABHJG-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.94
Rot. Bonds8

About methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate

methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate (PubChem CID 134033396) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate
PubChem CID134033396
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Namemethyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C20H22ClNO4/c1-22(13-7-12-19(23)25-2)20(24)16-9-4-6-11-18(16)26-14-15-8-3-5-10-17(15)21/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyXVUGQYZNTABHJG-UHFFFAOYSA-N
XLogP3.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
CID 54943241
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 67166325
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
methyl 4-[(4-chloro-2-methylbenzoyl)-methylamino]butanoate
CID 103777319
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate (CID 134033396) is methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate?
The InChIKey is XVUGQYZNTABHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-22(13-7-12-19(23)25-2)20(24)16-9-4-6-11-18(16)26-14-15-8-3-5-10-17(15)21/h3-6,8-11H,7,12-14H2,1-2H3.
What are the key properties of methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate?
methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate has a molecular weight of 375.85 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate is sourced from PubChem (CID 134033396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).