4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide

C25H34N4O3 — CID 10812937

IUPAC4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(CC(=O)N(C)Cc1ccccc1)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C25H34N4O3/c1-5-28(6-2)16-17-29(19-24(31)27(4)18-21-10-8-7-9-11-21)25(32)22-12-14-23(15-13-22)26-20(3)30/h7-15H,5-6,16-19H2,1-4H3,(H,26,30)
InChIKeyVTVRNNVKHQAZBK-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.09
Rot. Bonds11

About 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide

4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 10812937) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID10812937
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(CC(=O)N(C)Cc1ccccc1)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C25H34N4O3/c1-5-28(6-2)16-17-29(19-24(31)27(4)18-21-10-8-7-9-11-21)25(32)22-12-14-23(15-13-22)26-20(3)30/h7-15H,5-6,16-19H2,1-4H3,(H,26,30)
InChIKeyVTVRNNVKHQAZBK-UHFFFAOYSA-N
XLogP3.09
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide (CID 10812937) is 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(CC(=O)N(C)Cc1ccccc1)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is VTVRNNVKHQAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-5-28(6-2)16-17-29(19-24(31)27(4)18-21-10-8-7-9-11-21)25(32)22-12-14-23(15-13-22)26-20(3)30/h7-15H,5-6,16-19H2,1-4H3,(H,26,30).
What are the key properties of 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide?
4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 10812937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).