N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide

C22H26N2O3 — CID 110671816

IUPACN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(C(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-3-4-6-18(16)9-12-21(25)23-20-10-7-19(8-11-20)22(26)24-13-14-27-17(2)15-24/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,23,25)
InChIKeyJONQAKIEEDYKEQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.43
Rot. Bonds5

About N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide (PubChem CID 110671816) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
PubChem CID110671816
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(C(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-3-4-6-18(16)9-12-21(25)23-20-10-7-19(8-11-20)22(26)24-13-14-27-17(2)15-24/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,23,25)
InChIKeyJONQAKIEEDYKEQ-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide (CID 110671816) is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1ccc(C(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide?
The InChIKey is JONQAKIEEDYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-3-4-6-18(16)9-12-21(25)23-20-10-7-19(8-11-20)22(26)24-13-14-27-17(2)15-24/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide?
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110671816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).