3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide

C21H26N4O4 — CID 54811092

IUPAC3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)c1
InChIInChI=1S/C21H26N4O4/c1-15(26)25(2)19-9-7-17(8-10-19)23-14-20(27)24-18-6-4-5-16(13-18)21(28)22-11-12-29-3/h4-10,13,23H,11-12,14H2,1-3H3,(H,22,28)(H,24,27)
InChIKeyUTBFARZYKVRXRZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.10
Rot. Bonds9

About 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide

3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54811092) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54811092
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)c1
InChIInChI=1S/C21H26N4O4/c1-15(26)25(2)19-9-7-17(8-10-19)23-14-20(27)24-18-6-4-5-16(13-18)21(28)22-11-12-29-3/h4-10,13,23H,11-12,14H2,1-3H3,(H,22,28)(H,24,27)
InChIKeyUTBFARZYKVRXRZ-UHFFFAOYSA-N
XLogP2.10
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54811040
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54811092) is 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)c1.
What is the InChIKey of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is UTBFARZYKVRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(26)25(2)19-9-7-17(8-10-19)23-14-20(27)24-18-6-4-5-16(13-18)21(28)22-11-12-29-3/h4-10,13,23H,11-12,14H2,1-3H3,(H,22,28)(H,24,27).
What are the key properties of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54811092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).