N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide

C29H34N2O4 — CID 86591615

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C=O)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C29H34N2O4/c1-20(2)31(21(3)4)15-16-35-28-17-25(19-32)26(18-27(28)34-5)30-29(33)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-14,17-21H,15-16H2,1-5H3,(H,30,33)
InChIKeyCOEASIOELHZVLR-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.92
Rot. Bonds11

About N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide

N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide (PubChem CID 86591615) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide
PubChem CID86591615
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C=O)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C29H34N2O4/c1-20(2)31(21(3)4)15-16-35-28-17-25(19-32)26(18-27(28)34-5)30-29(33)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-14,17-21H,15-16H2,1-5H3,(H,30,33)
InChIKeyCOEASIOELHZVLR-UHFFFAOYSA-N
XLogP5.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
CID 10139496
4-(dimethylamino)-N-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzamide
CID 18672626
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-[2,5-dimethoxy-4-(prop-2-enylcarbamothioylamino)phenyl]benzamide
CID 8660268

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide (CID 86591615) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide is COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C=O)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide?
The InChIKey is COEASIOELHZVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-20(2)31(21(3)4)15-16-35-28-17-25(19-32)26(18-27(28)34-5)30-29(33)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-14,17-21H,15-16H2,1-5H3,(H,30,33).
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide has a molecular weight of 474.60 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 86591615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).