N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide

C22H26N2O3 — CID 110614350

IUPACN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-16(18-6-4-3-5-7-18)14-21(25)23-20-10-8-19(9-11-20)22(26)24-12-13-27-15-17(24)2/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)
InChIKeyMUKCUCWCSPIIEB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.68
Rot. Bonds5

About N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide (PubChem CID 110614350) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
PubChem CID110614350
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-16(18-6-4-3-5-7-18)14-21(25)23-20-10-8-19(9-11-20)22(26)24-12-13-27-15-17(24)2/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)
InChIKeyMUKCUCWCSPIIEB-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110614361
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide (CID 110614350) is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide is CC(CC(=O)Nc1ccc(C(=O)N2CCOCC2C)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
The InChIKey is MUKCUCWCSPIIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(18-6-4-3-5-7-18)14-21(25)23-20-10-8-19(9-11-20)22(26)24-12-13-27-15-17(24)2/h3-11,16-17H,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide?
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide is sourced from PubChem (CID 110614350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).