N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide

C27H32N2O3 — CID 58730741

IUPACN-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C27H32N2O3/c1-4-29(5-2)18-17-28-27(30)25-16-13-22(20-26(25)31-3)19-21-11-14-24(15-12-21)32-23-9-7-6-8-10-23/h6-16,20H,4-5,17-19H2,1-3H3,(H,28,30)
InChIKeyPJQGTEICBWVGBS-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.15
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide

N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide (PubChem CID 58730741) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
PubChem CID58730741
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C27H32N2O3/c1-4-29(5-2)18-17-28-27(30)25-16-13-22(20-26(25)31-3)19-21-11-14-24(15-12-21)32-23-9-7-6-8-10-23/h6-16,20H,4-5,17-19H2,1-3H3,(H,28,30)
InChIKeyPJQGTEICBWVGBS-UHFFFAOYSA-N
XLogP5.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)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

N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide
CID 90810207
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
CID 142899826
N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide
CID 91565545
N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
CID 89281710
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
CID 69329506
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 7276879
N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
CID 75430673

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide (CID 58730741) is N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide is CCN(CC)CCNC(=O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide?
The InChIKey is PJQGTEICBWVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-4-29(5-2)18-17-28-27(30)25-16-13-22(20-26(25)31-3)19-21-11-14-24(15-12-21)32-23-9-7-6-8-10-23/h6-16,20H,4-5,17-19H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide?
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide has a molecular weight of 432.56 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide is sourced from PubChem (CID 58730741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).