N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide

C23H30N4O3 — CID 54845657

IUPACN,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)ccc1C
InChIInChI=1S/C23H30N4O3/c1-5-21(28)26-20-14-19(11-9-16(20)2)25-22(29)15-24-18-8-6-7-17(13-18)10-12-23(30)27(3)4/h6-9,11,13-14,24H,5,10,12,15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyWOXQBFBAVWMLKX-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.41
Rot. Bonds9

About N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide

N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54845657) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54845657
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)ccc1C
InChIInChI=1S/C23H30N4O3/c1-5-21(28)26-20-14-19(11-9-16(20)2)25-22(29)15-24-18-8-6-7-17(13-18)10-12-23(30)27(3)4/h6-9,11,13-14,24H,5,10,12,15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyWOXQBFBAVWMLKX-UHFFFAOYSA-N
XLogP3.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845617
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide (CID 54845657) is N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)ccc1C.
What is the InChIKey of N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is WOXQBFBAVWMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-5-21(28)26-20-14-19(11-9-16(20)2)25-22(29)15-24-18-8-6-7-17(13-18)10-12-23(30)27(3)4/h6-9,11,13-14,24H,5,10,12,15H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54845657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).