N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide

C21H25N3O4 — CID 121062184

IUPACN-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-14-4-9-19(12-15(14)2)28-13-20(26)24-18-7-5-17(6-8-18)21(27)23-11-10-22-16(3)25/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLPEGGPZHYWEMNX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.19
Rot. Bonds8

About N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide

N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 121062184) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID121062184
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-14-4-9-19(12-15(14)2)28-13-20(26)24-18-7-5-17(6-8-18)21(27)23-11-10-22-16(3)25/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLPEGGPZHYWEMNX-UHFFFAOYSA-N
XLogP2.19
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
[4-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932305
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide (CID 121062184) is N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is LPEGGPZHYWEMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-4-9-19(12-15(14)2)28-13-20(26)24-18-7-5-17(6-8-18)21(27)23-11-10-22-16(3)25/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide?
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 121062184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).