N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide

C23H30N2O4 — CID 25487273

IUPACN-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
SMILESCOc1ccc([C@H](CNC(=O)CCc2ccccc2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H30N2O4/c1-27-21-10-9-19(16-22(21)28-2)20(25-12-14-29-15-13-25)17-24-23(26)11-8-18-6-4-3-5-7-18/h3-7,9-10,16,20H,8,11-15,17H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyFUZKLVOCPLPJNS-FQEVSTJZSA-N
MW398.50 g/mol
LogP2.83
Rot. Bonds9

About N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide (PubChem CID 25487273) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
PubChem CID25487273
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
SMILESCOc1ccc([C@H](CNC(=O)CCc2ccccc2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H30N2O4/c1-27-21-10-9-19(16-22(21)28-2)20(25-12-14-29-15-13-25)17-24-23(26)11-8-18-6-4-3-5-7-18/h3-7,9-10,16,20H,8,11-15,17H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyFUZKLVOCPLPJNS-FQEVSTJZSA-N
XLogP2.83
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 30575519
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574638
N'-(2-cyanoethyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-phenylbutanediamide
CID 56505286

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
The IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide (CID 25487273) is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide is COc1ccc([C@H](CNC(=O)CCc2ccccc2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
The InChIKey is FUZKLVOCPLPJNS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-21-10-9-19(16-22(21)28-2)20(25-12-14-29-15-13-25)17-24-23(26)11-8-18-6-4-3-5-7-18/h3-7,9-10,16,20H,8,11-15,17H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide?
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide has a molecular weight of 398.50 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 25487273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).