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

C21H24N2O3 — CID 110352618

IUPACN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-15-26-14-13-23(16)21(25)18-8-10-19(11-9-18)22-20(24)12-7-17-5-3-2-4-6-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,24)
InChIKeyYVOVVXOJOJPIGY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.12
Rot. Bonds5

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

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 110352618) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID110352618
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-15-26-14-13-23(16)21(25)18-8-10-19(11-9-18)22-20(24)12-7-17-5-3-2-4-6-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,24)
InChIKeyYVOVVXOJOJPIGY-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
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-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide (CID 110352618) is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide is CC1COCCN1C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is YVOVVXOJOJPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-15-26-14-13-23(16)21(25)18-8-10-19(11-9-18)22-20(24)12-7-17-5-3-2-4-6-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,24).
What are the key properties of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide?
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 352.43 g/mol, XLogP of 3.12, 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-phenylpropanamide is sourced from PubChem (CID 110352618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).