N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide

C22H28N2O2 — CID 18588986

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-7-10-20(11-8-18)21(24-13-15-26-16-14-24)17-23-22(25)12-9-19-5-3-2-4-6-19/h2-8,10-11,21H,9,12-17H2,1H3,(H,23,25)
InChIKeyNOGASTGLEODWQW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide (PubChem CID 18588986) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
PubChem CID18588986
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-7-10-20(11-8-18)21(24-13-15-26-16-14-24)17-23-22(25)12-9-19-5-3-2-4-6-19/h2-8,10-11,21H,9,12-17H2,1H3,(H,23,25)
InChIKeyNOGASTGLEODWQW-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 30575519
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide (CID 18588986) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide is Cc1ccc(C(CNC(=O)CCc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
The InChIKey is NOGASTGLEODWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-7-10-20(11-8-18)21(24-13-15-26-16-14-24)17-23-22(25)12-9-19-5-3-2-4-6-19/h2-8,10-11,21H,9,12-17H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 18588986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).