N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide

C23H29N3O3 — CID 54825729

IUPACN,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C23H29N3O3/c1-17(2)16-29-21-11-6-5-10-20(21)24-15-22(27)25-19-9-7-8-18(14-19)12-13-23(28)26(3)4/h5-11,14,24H,1,12-13,15-16H2,2-4H3,(H,25,27)
InChIKeyYIXAJGAUBGQDHA-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.71
Rot. Bonds10

About N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide

N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54825729) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54825729
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C23H29N3O3/c1-17(2)16-29-21-11-6-5-10-20(21)24-15-22(27)25-19-9-7-8-18(14-19)12-13-23(28)26(3)4/h5-11,14,24H,1,12-13,15-16H2,2-4H3,(H,25,27)
InChIKeyYIXAJGAUBGQDHA-UHFFFAOYSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N,N-dimethyl-3-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54824486
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827380
3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54814173
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide (CID 54825729) is N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide is C=C(C)COc1ccccc1NCC(=O)Nc1cccc(CCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is YIXAJGAUBGQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(2)16-29-21-11-6-5-10-20(21)24-15-22(27)25-19-9-7-8-18(14-19)12-13-23(28)26(3)4/h5-11,14,24H,1,12-13,15-16H2,2-4H3,(H,25,27).
What are the key properties of N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54825729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).