N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C25H30N2O5 — CID 24980739

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OCC
InChIInChI=1S/C25H30N2O5/c1-5-29-23-12-7-19(15-24(23)30-6-2)13-14-26-25(28)20-8-10-21(11-9-20)31-16-22-17(3)27-32-18(22)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,28)
InChIKeyATMDRMWYEBAZLR-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.64
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 24980739) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID24980739
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OCC
InChIInChI=1S/C25H30N2O5/c1-5-29-23-12-7-19(15-24(23)30-6-2)13-14-26-25(28)20-8-10-21(11-9-20)31-16-22-17(3)27-32-18(22)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,28)
InChIKeyATMDRMWYEBAZLR-UHFFFAOYSA-N
XLogP4.64
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]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

N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
CID 70679283
4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]propoxy]-3-methoxybenzamide
CID 10455211
N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
CID 2572928
3-(4-Isopropoxyphenyl)-3-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}propanoic acid
CID 3245669
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
N-((3-Isopropylisoxazol-5-yl)methyl)-3-((1-isopropylpiperidin-4-yl)oxy)-4-methoxybenzamide
CID 24817638
N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2111790
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2738154
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 24980739) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is CCOc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is ATMDRMWYEBAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-5-29-23-12-7-19(15-24(23)30-6-2)13-14-26-25(28)20-8-10-21(11-9-20)31-16-22-17(3)27-32-18(22)4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 438.52 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 24980739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).