3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide

C25H34N4O4 — CID 54835986

IUPAC3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C25H34N4O4/c1-4-14-29(15-5-2)25(32)20-7-6-8-22(17-20)28-23(30)18-27-21-11-9-19(10-12-21)24(31)26-13-16-33-3/h6-12,17,27H,4-5,13-16,18H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyCCNCBIAKLYLZRE-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.38
Rot. Bonds13

About 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide

3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54835986) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54835986
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C25H34N4O4/c1-4-14-29(15-5-2)25(32)20-7-6-8-22(17-20)28-23(30)18-27-21-11-9-19(10-12-21)24(31)26-13-16-33-3/h6-12,17,27H,4-5,13-16,18H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyCCNCBIAKLYLZRE-UHFFFAOYSA-N
XLogP3.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide 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,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54831987
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54843114
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide (CID 54835986) is 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1.
What is the InChIKey of 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is CCNCBIAKLYLZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-4-14-29(15-5-2)25(32)20-7-6-8-22(17-20)28-23(30)18-27-21-11-9-19(10-12-21)24(31)26-13-16-33-3/h6-12,17,27H,4-5,13-16,18H2,1-3H3,(H,26,31)(H,28,30).
What are the key properties of 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 454.57 g/mol, XLogP of 3.38, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54835986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).