N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide

C22H27N3O5 — CID 38105972

IUPACN-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OCC
InChIInChI=1S/C22H27N3O5/c1-5-29-18-12-9-16(13-19(18)30-6-2)21(27)23-14-20(26)24-17-10-7-15(8-11-17)22(28)25(3)4/h7-13H,5-6,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeySJTMVYHIVBXWKA-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.55
Rot. Bonds9

About N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 38105972) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID38105972
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OCC
InChIInChI=1S/C22H27N3O5/c1-5-29-18-12-9-16(13-19(18)30-6-2)21(27)23-14-20(26)24-17-10-7-15(8-11-17)22(28)25(3)4/h7-13H,5-6,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeySJTMVYHIVBXWKA-UHFFFAOYSA-N
XLogP2.55
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
3,4-diethoxy-N-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-oxoethyl]benzamide
CID 154860239
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 38105972) is N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OCC.
What is the InChIKey of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is SJTMVYHIVBXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-29-18-12-9-16(13-19(18)30-6-2)21(27)23-14-20(26)24-17-10-7-15(8-11-17)22(28)25(3)4/h7-13H,5-6,14H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 413.47 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 38105972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).