N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide

C23H28N2O3 — CID 138736713

IUPACN-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
SMILESC=C(CCC(=O)N(C)Cc1ccccc1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C23H28N2O3/c1-17-10-12-21(14-18(17)2)28-16-22(26)24-19(3)11-13-23(27)25(4)15-20-8-6-5-7-9-20/h5-10,12,14H,3,11,13,15-16H2,1-2,4H3,(H,24,26)
InChIKeyJKZJPAFSHRIJGX-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.75
Rot. Bonds9

About N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide

N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide (PubChem CID 138736713) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
PubChem CID138736713
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
SMILESC=C(CCC(=O)N(C)Cc1ccccc1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C23H28N2O3/c1-17-10-12-21(14-18(17)2)28-16-22(26)24-19(3)11-13-23(27)25(4)15-20-8-6-5-7-9-20/h5-10,12,14H,3,11,13,15-16H2,1-2,4H3,(H,24,26)
InChIKeyJKZJPAFSHRIJGX-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 138736196
2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
CID 155265108
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155265040
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
CID 138736740
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
(4-methylphenyl) 4-[benzyl(methyl)amino]-4-oxobutanoate
CID 921084
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
4-(acetamidomethyl)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]pyridine-2-carboxamide
CID 155265005
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 155264555

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide?
The IUPAC name of N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide (CID 138736713) is N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide.
What is the SMILES notation for N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide?
The canonical SMILES for N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide is C=C(CCC(=O)N(C)Cc1ccccc1)NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide?
The InChIKey is JKZJPAFSHRIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-10-12-21(14-18(17)2)28-16-22(26)24-19(3)11-13-23(27)25(4)15-20-8-6-5-7-9-20/h5-10,12,14H,3,11,13,15-16H2,1-2,4H3,(H,24,26).
What are the key properties of N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide?
N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide has a molecular weight of 380.49 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide is sourced from PubChem (CID 138736713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).