3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide

C26H28N2O5 — CID 18839415

IUPAC3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NC(NC(=O)c2cccc(OC)c2)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C26H28N2O5/c1-17(2)33-21-13-11-18(12-14-21)24(27-25(29)19-7-5-9-22(15-19)31-3)28-26(30)20-8-6-10-23(16-20)32-4/h5-17,24H,1-4H3,(H,27,29)(H,28,30)
InChIKeyDJIVGBVGMITJLM-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.35
Rot. Bonds9

About 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide

3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 18839415) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID18839415
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NC(NC(=O)c2cccc(OC)c2)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C26H28N2O5/c1-17(2)33-21-13-11-18(12-14-21)24(27-25(29)19-7-5-9-22(15-19)31-3)28-26(30)20-8-6-10-23(16-20)32-4/h5-17,24H,1-4H3,(H,27,29)(H,28,30)
InChIKeyDJIVGBVGMITJLM-UHFFFAOYSA-N
XLogP4.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]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-bromo-N-[[(3-bromobenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839413
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839408
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide (CID 18839415) is 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide is COc1cccc(C(=O)NC(NC(=O)c2cccc(OC)c2)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is DJIVGBVGMITJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-17(2)33-21-13-11-18(12-14-21)24(27-25(29)19-7-5-9-22(15-19)31-3)28-26(30)20-8-6-10-23(16-20)32-4/h5-17,24H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 18839415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).