3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C21H26N4O3 — CID 54831723

IUPAC3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-15(26)23-19-6-4-5-18(13-19)22-14-20(27)24-17-10-7-16(8-11-17)9-12-21(28)25(2)3/h4-8,10-11,13,22H,9,12,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeySNPUEXIDRPKHGK-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.72
Rot. Bonds8

About 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54831723) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54831723
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N4O3/c1-15(26)23-19-6-4-5-18(13-19)22-14-20(27)24-17-10-7-16(8-11-17)9-12-21(28)25(2)3/h4-8,10-11,13,22H,9,12,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeySNPUEXIDRPKHGK-UHFFFAOYSA-N
XLogP2.72
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833387
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845631
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
3-[4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845953

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54831723) is 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is SNPUEXIDRPKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(26)23-19-6-4-5-18(13-19)22-14-20(27)24-17-10-7-16(8-11-17)9-12-21(28)25(2)3/h4-8,10-11,13,22H,9,12,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54831723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).