3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide

C23H30N2O4 — CID 55951918

IUPAC3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1OCCC(C)C
InChIInChI=1S/C23H30N2O4/c1-17(2)9-12-29-21-8-7-18(15-22(21)27-3)23(26)24-19-5-4-6-20(16-19)25-10-13-28-14-11-25/h4-8,15-17H,9-14H2,1-3H3,(H,24,26)
InChIKeyIBXWDXKZCOPLJS-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.21
Rot. Bonds8

About 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide

3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 55951918) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID55951918
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1OCCC(C)C
InChIInChI=1S/C23H30N2O4/c1-17(2)9-12-29-21-8-7-18(15-22(21)27-3)23(26)24-19-5-4-6-20(16-19)25-10-13-28-14-11-25/h4-8,15-17H,9-14H2,1-3H3,(H,24,26)
InChIKeyIBXWDXKZCOPLJS-UHFFFAOYSA-N
XLogP4.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)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-[3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]phenyl]acetic acid
CID 119351564
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194786
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 55951801
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 1232475
4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
CID 110612957

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide (CID 55951918) is 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide is COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1OCCC(C)C.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is IBXWDXKZCOPLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17(2)9-12-29-21-8-7-18(15-22(21)27-3)23(26)24-19-5-4-6-20(16-19)25-10-13-28-14-11-25/h4-8,15-17H,9-14H2,1-3H3,(H,24,26).
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide?
3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 398.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 55951918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).