bis[4-(ethylamino)phenyl]methanone

C34H40N4O2 — CID 157337395

IUPACbis[4-(ethylamino)phenyl]methanone
SMILESCCNc1ccc(C(=O)c2ccc(NCC)cc2)cc1.CCNc1ccc(C(=O)c2ccc(NCC)cc2)cc1
InChIInChI=1S/2C17H20N2O/c2*1-3-18-15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19-4-2/h2*5-12,18-19H,3-4H2,1-2H3
InChIKeyBFZMGJGFEXHTAJ-UHFFFAOYSA-N
MW536.72 g/mol
LogP7.56
Rot. Bonds12

About bis[4-(ethylamino)phenyl]methanone

bis[4-(ethylamino)phenyl]methanone (PubChem CID 157337395) has the molecular formula C34H40N4O2 and a molecular weight of 536.72 g/mol. Its IUPAC name is bis[4-(ethylamino)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(ethylamino)phenyl]methanone
PubChem CID157337395
Molecular FormulaC34H40N4O2
Molecular Weight536.72 g/mol
Exact Mass536.32
IUPAC Namebis[4-(ethylamino)phenyl]methanone
SMILESCCNc1ccc(C(=O)c2ccc(NCC)cc2)cc1.CCNc1ccc(C(=O)c2ccc(NCC)cc2)cc1
InChIInChI=1S/2C17H20N2O/c2*1-3-18-15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19-4-2/h2*5-12,18-19H,3-4H2,1-2H3
InChIKeyBFZMGJGFEXHTAJ-UHFFFAOYSA-N
XLogP7.56
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 57.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

bis(4-(ethylamino)benzoic acid);propane-1,3-diol
CID 175444404
ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
CID 155715091
[4-(ethylamino)phenyl]carbamic acid
CID 122640243
N-ethyl-4-[1-[4-(ethylamino)phenyl]-2-methylprop-1-enyl]aniline
CID 21400955
[4-(ethylamino)phenyl] acetate
CID 15120452
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
4-(ethylamino)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356898
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
N-(cyclopropylmethyl)-4-(ethylamino)benzamide
CID 62173113
2-(4-benzoylanilino)acetonitrile
CID 57025219

Frequently Asked Questions

What is the IUPAC name of bis[4-(ethylamino)phenyl]methanone?
The IUPAC name of bis[4-(ethylamino)phenyl]methanone (CID 157337395) is bis[4-(ethylamino)phenyl]methanone.
What is the SMILES notation for bis[4-(ethylamino)phenyl]methanone?
The canonical SMILES for bis[4-(ethylamino)phenyl]methanone is CCNc1ccc(C(=O)c2ccc(NCC)cc2)cc1.CCNc1ccc(C(=O)c2ccc(NCC)cc2)cc1.
What is the InChIKey of bis[4-(ethylamino)phenyl]methanone?
The InChIKey is BFZMGJGFEXHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20N2O/c2*1-3-18-15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19-4-2/h2*5-12,18-19H,3-4H2,1-2H3.
What are the key properties of bis[4-(ethylamino)phenyl]methanone?
bis[4-(ethylamino)phenyl]methanone has a molecular weight of 536.72 g/mol, XLogP of 7.56, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(ethylamino)phenyl]methanone is sourced from PubChem (CID 157337395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).