N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide

C21H28N2O4 — CID 60545308

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2cccc(OCCN(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4/c1-16(27-19-10-8-18(25-4)9-11-19)21(24)22-15-17-6-5-7-20(14-17)26-13-12-23(2)3/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyJZAPSFLHRFVXSM-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.72
Rot. Bonds10

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 60545308) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID60545308
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2cccc(OCCN(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4/c1-16(27-19-10-8-18(25-4)9-11-19)21(24)22-15-17-6-5-7-20(14-17)26-13-12-23(2)3/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyJZAPSFLHRFVXSM-UHFFFAOYSA-N
XLogP2.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide
CID 60520602
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086721
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide (CID 60545308) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCc2cccc(OCCN(C)C)c2)cc1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is JZAPSFLHRFVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-16(27-19-10-8-18(25-4)9-11-19)21(24)22-15-17-6-5-7-20(14-17)26-13-12-23(2)3/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24).
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 60545308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).