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

C25H35N3O4 — CID 54827668

IUPAC3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccccc2OCCOCC)c1
InChIInChI=1S/C25H35N3O4/c1-4-14-28(15-5-2)25(30)20-10-9-11-21(18-20)27-24(29)19-26-22-12-7-8-13-23(22)32-17-16-31-6-3/h7-13,18,26H,4-6,14-17,19H2,1-3H3,(H,27,29)
InChIKeyQBXNBQJOWBDOGG-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.41
Rot. Bonds14

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

3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54827668) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54827668
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccccc2OCCOCC)c1
InChIInChI=1S/C25H35N3O4/c1-4-14-28(15-5-2)25(30)20-10-9-11-21(18-20)27-24(29)19-26-22-12-7-8-13-23(22)32-17-16-31-6-3/h7-13,18,26H,4-6,14-17,19H2,1-3H3,(H,27,29)
InChIKeyQBXNBQJOWBDOGG-UHFFFAOYSA-N
XLogP4.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-[2-(2-ethoxyethoxy)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

3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54827700
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827380
2-(3-acetamidoanilino)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54831775
N-(3,5-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827277
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide (CID 54827668) is 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccccc2OCCOCC)c1.
What is the InChIKey of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is QBXNBQJOWBDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-4-14-28(15-5-2)25(30)20-10-9-11-21(18-20)27-24(29)19-26-22-12-7-8-13-23(22)32-17-16-31-6-3/h7-13,18,26H,4-6,14-17,19H2,1-3H3,(H,27,29).
What are the key properties of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 441.57 g/mol, XLogP of 4.41, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54827668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).