4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide

C28H35N3O3 — CID 20734030

IUPAC4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide
SMILESCCc1ccc(C(=O)NCC(C)(CNCc2ccccc2O)CNCc2ccccc2O)cc1
InChIInChI=1S/C28H35N3O3/c1-3-21-12-14-22(15-13-21)27(34)31-20-28(2,18-29-16-23-8-4-6-10-25(23)32)19-30-17-24-9-5-7-11-26(24)33/h4-15,29-30,32-33H,3,16-20H2,1-2H3,(H,31,34)
InChIKeyUYUZNDLWQIHKLZ-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.98
Rot. Bonds12

About 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide

4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide (PubChem CID 20734030) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide
PubChem CID20734030
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide
SMILESCCc1ccc(C(=O)NCC(C)(CNCc2ccccc2O)CNCc2ccccc2O)cc1
InChIInChI=1S/C28H35N3O3/c1-3-21-12-14-22(15-13-21)27(34)31-20-28(2,18-29-16-23-8-4-6-10-25(23)32)19-30-17-24-9-5-7-11-26(24)33/h4-15,29-30,32-33H,3,16-20H2,1-2H3,(H,31,34)
InChIKeyUYUZNDLWQIHKLZ-UHFFFAOYSA-N
XLogP3.98
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]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

4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
CID 115271137
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
CID 100668816
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide (CID 20734030) is 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide is CCc1ccc(C(=O)NCC(C)(CNCc2ccccc2O)CNCc2ccccc2O)cc1.
What is the InChIKey of 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide?
The InChIKey is UYUZNDLWQIHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-3-21-12-14-22(15-13-21)27(34)31-20-28(2,18-29-16-23-8-4-6-10-25(23)32)19-30-17-24-9-5-7-11-26(24)33/h4-15,29-30,32-33H,3,16-20H2,1-2H3,(H,31,34).
What are the key properties of 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide?
4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 3.98, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide is sourced from PubChem (CID 20734030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).