N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide

C27H32N2O2 — CID 10295411

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide
SMILESCC(C)N(CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(C)C
InChIInChI=1S/C27H32N2O2/c1-20(2)29(21(3)4)18-19-31-26-16-14-25(15-17-26)28-27(30)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-17,20-21H,18-19H2,1-4H3,(H,28,30)
InChIKeyQPTCSDKORSUWFG-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.10
Rot. Bonds9

About N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide

N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide (PubChem CID 10295411) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide
PubChem CID10295411
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide
SMILESCC(C)N(CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(C)C
InChIInChI=1S/C27H32N2O2/c1-20(2)29(21(3)4)18-19-31-26-16-14-25(15-17-26)28-27(30)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-17,20-21H,18-19H2,1-4H3,(H,28,30)
InChIKeyQPTCSDKORSUWFG-UHFFFAOYSA-N
XLogP6.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide (CID 10295411) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide is CC(C)N(CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(C)C.
What is the InChIKey of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide?
The InChIKey is QPTCSDKORSUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-20(2)29(21(3)4)18-19-31-26-16-14-25(15-17-26)28-27(30)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-17,20-21H,18-19H2,1-4H3,(H,28,30).
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide has a molecular weight of 416.57 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 10295411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).