4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide

C22H29N3O3 — CID 54820175

IUPAC4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-13-23-22(27)17-5-7-19(8-6-17)25-21(26)14-24-18-9-11-20(12-10-18)28-15-16(2)3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyYZPSBLYLWQGBNA-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.91
Rot. Bonds10

About 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide

4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide (PubChem CID 54820175) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
PubChem CID54820175
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-13-23-22(27)17-5-7-19(8-6-17)25-21(26)14-24-18-9-11-20(12-10-18)28-15-16(2)3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyYZPSBLYLWQGBNA-UHFFFAOYSA-N
XLogP3.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide (CID 54820175) is 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide?
The InChIKey is YZPSBLYLWQGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-13-23-22(27)17-5-7-19(8-6-17)25-21(26)14-24-18-9-11-20(12-10-18)28-15-16(2)3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide?
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54820175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).