N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide

C25H26N2O2 — CID 31961123

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c28-25(22-12-10-21(11-13-22)20-6-2-1-3-7-20)26-18-23-8-4-5-9-24(23)19-27-14-16-29-17-15-27/h1-13H,14-19H2,(H,26,28)
InChIKeyCAMQNFDDQUFWAN-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.12
Rot. Bonds6

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide (PubChem CID 31961123) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
PubChem CID31961123
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c28-25(22-12-10-21(11-13-22)20-6-2-1-3-7-20)26-18-23-8-4-5-9-24(23)19-27-14-16-29-17-15-27/h1-13H,14-19H2,(H,26,28)
InChIKeyCAMQNFDDQUFWAN-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide (CID 31961123) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide is O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide?
The InChIKey is CAMQNFDDQUFWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(22-12-10-21(11-13-22)20-6-2-1-3-7-20)26-18-23-8-4-5-9-24(23)19-27-14-16-29-17-15-27/h1-13H,14-19H2,(H,26,28).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 31961123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).