3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide

C24H32N2O4 — CID 55802015

IUPAC3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)COc2ccccc2C(C)CC)c1
InChIInChI=1S/C24H32N2O4/c1-4-18(3)21-12-6-7-13-22(21)30-17-23(27)26-20-11-8-10-19(16-20)24(28)25-14-9-15-29-5-2/h6-8,10-13,16,18H,4-5,9,14-15,17H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyPJKFIEDPERVVDY-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.37
Rot. Bonds12

About 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide

3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 55802015) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
PubChem CID55802015
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)COc2ccccc2C(C)CC)c1
InChIInChI=1S/C24H32N2O4/c1-4-18(3)21-12-6-7-13-22(21)30-17-23(27)26-20-11-8-10-19(16-20)24(28)25-14-9-15-29-5-2/h6-8,10-13,16,18H,4-5,9,14-15,17H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyPJKFIEDPERVVDY-UHFFFAOYSA-N
XLogP4.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide 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-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199877
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17197070
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108541135
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17170482

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide (CID 55802015) is 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cccc(NC(=O)COc2ccccc2C(C)CC)c1.
What is the InChIKey of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is PJKFIEDPERVVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-18(3)21-12-6-7-13-22(21)30-17-23(27)26-20-11-8-10-19(16-20)24(28)25-14-9-15-29-5-2/h6-8,10-13,16,18H,4-5,9,14-15,17H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 412.53 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 55802015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).