N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide

C21H26N2O2 — CID 755590

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)18-5-7-19(8-6-18)21(24)22-20-9-3-17(4-10-20)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyGWQPCKYDRCLZGF-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide

N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 755590) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide
PubChem CID755590
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)18-5-7-19(8-6-18)21(24)22-20-9-3-17(4-10-20)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyGWQPCKYDRCLZGF-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide (CID 755590) is N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is GWQPCKYDRCLZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)18-5-7-19(8-6-18)21(24)22-20-9-3-17(4-10-20)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 755590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).