2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide

C21H25N3O5 — CID 55863991

IUPAC2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1OCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H25N3O5/c1-23(2)20(26)14-8-6-9-15(12-14)22-18(25)13-29-19-16(21(27)24(3)4)10-7-11-17(19)28-5/h6-12H,13H2,1-5H3,(H,22,25)
InChIKeyVTARKBMBERWOAA-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.12
Rot. Bonds7

About 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide

2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 55863991) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
PubChem CID55863991
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1OCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H25N3O5/c1-23(2)20(26)14-8-6-9-15(12-14)22-18(25)13-29-19-16(21(27)24(3)4)10-7-11-17(19)28-5/h6-12H,13H2,1-5H3,(H,22,25)
InChIKeyVTARKBMBERWOAA-UHFFFAOYSA-N
XLogP2.12
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate
CID 55865373
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 110314454
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
N,N-dimethyl-3-[(2-quinolin-6-yloxyacetyl)amino]benzamide
CID 60595070

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide (CID 55863991) is 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide is COc1cccc(C(=O)N(C)C)c1OCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is VTARKBMBERWOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-23(2)20(26)14-8-6-9-15(12-14)22-18(25)13-29-19-16(21(27)24(3)4)10-7-11-17(19)28-5/h6-12H,13H2,1-5H3,(H,22,25).
What are the key properties of 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide?
2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 55863991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).