4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide

C22H28N4O4 — CID 9025684

IUPAC4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C22H28N4O4/c1-5-26(15-21(28)24-18-7-6-8-19(13-18)30-4)14-20(27)23-17-11-9-16(10-12-17)22(29)25(2)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyAUBTXJYTZLUJIP-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.30
Rot. Bonds9

About 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 9025684) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID9025684
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C22H28N4O4/c1-5-26(15-21(28)24-18-7-6-8-19(13-18)30-4)14-20(27)23-17-11-9-16(10-12-17)22(29)25(2)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyAUBTXJYTZLUJIP-UHFFFAOYSA-N
XLogP2.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide (CID 9025684) is 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide is CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is AUBTXJYTZLUJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-5-26(15-21(28)24-18-7-6-8-19(13-18)30-4)14-20(27)23-17-11-9-16(10-12-17)22(29)25(2)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 9025684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).