N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide

C22H26N2O3 — CID 166421812

IUPACN-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)N(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H26N2O3/c1-5-21(25)23-15-18-9-7-6-8-17(18)14-22(26)24(4)19-10-12-20(13-11-19)27-16(2)3/h5-13,16H,1,14-15H2,2-4H3,(H,23,25)
InChIKeyYNCRMAIBFGVMFF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.48
Rot. Bonds8

About N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide

N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide (PubChem CID 166421812) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide
PubChem CID166421812
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)N(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H26N2O3/c1-5-21(25)23-15-18-9-7-6-8-17(18)14-22(26)24(4)19-10-12-20(13-11-19)27-16(2)3/h5-13,16H,1,14-15H2,2-4H3,(H,23,25)
InChIKeyYNCRMAIBFGVMFF-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide 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-methyl-2-(methylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 96676263
2-(ethylamino)-N-methyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 115157788
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-[[2-[2-[benzyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421865
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea
CID 115169003
N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30273805
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
2-(2-hydroxyphenyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106936085
2-methyl-N-[4-methyl-3-[[2-[2-[(prop-2-enoylamino)methyl]phenyl]acetyl]amino]phenyl]propanamide
CID 166421802
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide (CID 166421812) is N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1CC(=O)N(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The InChIKey is YNCRMAIBFGVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-21(25)23-15-18-9-7-6-8-17(18)14-22(26)24(4)19-10-12-20(13-11-19)27-16(2)3/h5-13,16H,1,14-15H2,2-4H3,(H,23,25).
What are the key properties of N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide?
N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(N-methyl-4-propan-2-yloxyanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166421812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).