3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide

C33H34N2O4 — CID 4960561

IUPAC3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OCCC)c4)cc3)cc2)c1
InChIInChI=1S/C33H34N2O4/c1-3-19-38-30-9-5-7-26(22-30)32(36)34-28-15-11-24(12-16-28)21-25-13-17-29(18-14-25)35-33(37)27-8-6-10-31(23-27)39-20-4-2/h5-18,22-23H,3-4,19-21H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyFJMCHBIXAAPLNT-UHFFFAOYSA-N
MW522.65 g/mol
LogP7.36
Rot. Bonds12

About 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide

3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide (PubChem CID 4960561) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
PubChem CID4960561
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Name3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OCCC)c4)cc3)cc2)c1
InChIInChI=1S/C33H34N2O4/c1-3-19-38-30-9-5-7-26(22-30)32(36)34-28-15-11-24(12-16-28)21-25-13-17-29(18-14-25)35-33(37)27-8-6-10-31(23-27)39-20-4-2/h5-18,22-23H,3-4,19-21H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyFJMCHBIXAAPLNT-UHFFFAOYSA-N
XLogP7.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]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-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide
CID 46760461
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The IUPAC name of 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide (CID 4960561) is 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide is CCCOc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OCCC)c4)cc3)cc2)c1.
What is the InChIKey of 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The InChIKey is FJMCHBIXAAPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-3-19-38-30-9-5-7-26(22-30)32(36)34-28-15-11-24(12-16-28)21-25-13-17-29(18-14-25)35-33(37)27-8-6-10-31(23-27)39-20-4-2/h5-18,22-23H,3-4,19-21H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide has a molecular weight of 522.65 g/mol, XLogP of 7.36, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 4960561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).