N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide

C28H34N2O4 — CID 18672596

IUPACN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(O)c3)cc2)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C28H34N2O4/c1-19(2)30(20(3)4)15-16-34-27-18-24(13-14-26(27)33-5)29-28(32)22-11-9-21(10-12-22)23-7-6-8-25(31)17-23/h6-14,17-20,31H,15-16H2,1-5H3,(H,29,32)
InChIKeyWEKAXZMMFKKHGV-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.82
Rot. Bonds10

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide (PubChem CID 18672596) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
PubChem CID18672596
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(O)c3)cc2)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C28H34N2O4/c1-19(2)30(20(3)4)15-16-34-27-18-24(13-14-26(27)33-5)29-28(32)22-11-9-21(10-12-22)23-7-6-8-25(31)17-23/h6-14,17-20,31H,15-16H2,1-5H3,(H,29,32)
InChIKeyWEKAXZMMFKKHGV-UHFFFAOYSA-N
XLogP5.82
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286
2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006320
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide
CID 86591615
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932885
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(furan-2-yl)acetamide
CID 139919411
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
CID 10139496
(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460
(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 70143148

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide?
The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide (CID 18672596) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide?
The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3cccc(O)c3)cc2)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide?
The InChIKey is WEKAXZMMFKKHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-19(2)30(20(3)4)15-16-34-27-18-24(13-14-26(27)33-5)29-28(32)22-11-9-21(10-12-22)23-7-6-8-25(31)17-23/h6-14,17-20,31H,15-16H2,1-5H3,(H,29,32).
What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide?
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide has a molecular weight of 462.59 g/mol, XLogP of 5.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 18672596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).