2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide

C22H28N2O4 — CID 60529536

IUPAC2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCC(C)CCOCCNC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H28N2O4/c1-17(2)12-14-27-15-13-23-21(25)16-28-20-11-7-6-10-19(20)22(26)24-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUWMZTTULTPCBFH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.50
Rot. Bonds11

About 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 60529536) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID60529536
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCC(C)CCOCCNC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H28N2O4/c1-17(2)12-14-27-15-13-23-21(25)16-28-20-11-7-6-10-19(20)22(26)24-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUWMZTTULTPCBFH-UHFFFAOYSA-N
XLogP3.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide 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

2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 60529897
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
CID 9018532
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide (CID 60529536) is 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide is CC(C)CCOCCNC(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is UWMZTTULTPCBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17(2)12-14-27-15-13-23-21(25)16-28-20-11-7-6-10-19(20)22(26)24-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 60529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).