2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide

C19H22N4O3 — CID 54831552

IUPAC2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)c1
InChIInChI=1S/C19H22N4O3/c1-13(24)21-17-6-4-5-16(11-17)20-12-19(26)22-15-7-9-18(10-8-15)23(3)14(2)25/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyQCRKGXFFPOEFNS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.68
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide

2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide (PubChem CID 54831552) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
PubChem CID54831552
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)c1
InChIInChI=1S/C19H22N4O3/c1-13(24)21-17-6-4-5-16(11-17)20-12-19(26)22-15-7-9-18(10-8-15)23(3)14(2)25/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyQCRKGXFFPOEFNS-UHFFFAOYSA-N
XLogP2.68
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823757
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide (CID 54831552) is 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide?
The InChIKey is QCRKGXFFPOEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)21-17-6-4-5-16(11-17)20-12-19(26)22-15-7-9-18(10-8-15)23(3)14(2)25/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide?
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide is sourced from PubChem (CID 54831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).