N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide

C32H34N2O4 — CID 118063690

IUPACN-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OCCCN(C)C)cc4)cc3)ccc2OC)c1
InChIInChI=1S/C32H34N2O4/c1-34(2)19-6-20-38-28-16-11-24(12-17-28)23-9-14-27(15-10-23)33-32(35)26-13-18-31(37-4)30(22-26)25-7-5-8-29(21-25)36-3/h5,7-18,21-22H,6,19-20H2,1-4H3,(H,33,35)
InChIKeyVGPFKTUFMAVDTE-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.62
Rot. Bonds11

About N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide

N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 118063690) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
PubChem CID118063690
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC NameN-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OCCCN(C)C)cc4)cc3)ccc2OC)c1
InChIInChI=1S/C32H34N2O4/c1-34(2)19-6-20-38-28-16-11-24(12-17-28)23-9-14-27(15-10-23)33-32(35)26-13-18-31(37-4)30(22-26)25-7-5-8-29(21-25)36-3/h5,7-18,21-22H,6,19-20H2,1-4H3,(H,33,35)
InChIKeyVGPFKTUFMAVDTE-UHFFFAOYSA-N
XLogP6.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 118063690) is N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OCCCN(C)C)cc4)cc3)ccc2OC)c1.
What is the InChIKey of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The InChIKey is VGPFKTUFMAVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-34(2)19-6-20-38-28-16-11-24(12-17-28)23-9-14-27(15-10-23)33-32(35)26-13-18-31(37-4)30(22-26)25-7-5-8-29(21-25)36-3/h5,7-18,21-22H,6,19-20H2,1-4H3,(H,33,35).
What are the key properties of N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide has a molecular weight of 510.63 g/mol, XLogP of 6.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(dimethylamino)propoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 118063690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).