2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

C22H28N2O4 — CID 43909267

IUPAC2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C22H28N2O4/c1-5-20(28-17-10-8-9-16(13-17)27-4)22(26)24-19-12-7-6-11-18(19)21(25)23-14-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQSDDOYIOHHAARN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.88
Rot. Bonds9

About 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 43909267) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID43909267
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C22H28N2O4/c1-5-20(28-17-10-8-9-16(13-17)27-4)22(26)24-19-12-7-6-11-18(19)21(25)23-14-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQSDDOYIOHHAARN-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)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

2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104
N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 92680298
2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 132657490
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38009731
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 28577313
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (CID 43909267) is 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is CCC(Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is QSDDOYIOHHAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-20(28-17-10-8-9-16(13-17)27-4)22(26)24-19-12-7-6-11-18(19)21(25)23-14-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 43909267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).