4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide

C25H32N2O3 — CID 138736196

IUPAC4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
SMILESC=C(CCC(=O)NCc1ccc(C(C)C)cc1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C25H32N2O3/c1-17(2)22-10-8-21(9-11-22)15-26-24(28)13-7-20(5)27-25(29)16-30-23-12-6-18(3)19(4)14-23/h6,8-12,14,17H,5,7,13,15-16H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQIBOVJSIDFLAQY-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.53
Rot. Bonds10

About 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide (PubChem CID 138736196) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
PubChem CID138736196
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
SMILESC=C(CCC(=O)NCc1ccc(C(C)C)cc1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C25H32N2O3/c1-17(2)22-10-8-21(9-11-22)15-26-24(28)13-7-20(5)27-25(29)16-30-23-12-6-18(3)19(4)14-23/h6,8-12,14,17H,5,7,13,15-16H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQIBOVJSIDFLAQY-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide with MolForge

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Related Compounds

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
CID 138736740
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155265040
2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
CID 155265108
N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
CID 138736713
4-(acetamidomethyl)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]pyridine-2-carboxamide
CID 155265005
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
tert-butyl N-[3-[[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920493
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide?
The IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide (CID 138736196) is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide?
The canonical SMILES for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide is C=C(CCC(=O)NCc1ccc(C(C)C)cc1)NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide?
The InChIKey is QIBOVJSIDFLAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17(2)22-10-8-21(9-11-22)15-26-24(28)13-7-20(5)27-25(29)16-30-23-12-6-18(3)19(4)14-23/h6,8-12,14,17H,5,7,13,15-16H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide?
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide has a molecular weight of 408.54 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide is sourced from PubChem (CID 138736196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).