N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide

C19H23NO2 — CID 2876922

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1ccc(OCCNC(=O)CCc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2/c1-15-8-10-18(14-16(15)2)22-13-12-20-19(21)11-9-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21)
InChIKeyCEJGGZHOMHZZME-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide

N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide (PubChem CID 2876922) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide
PubChem CID2876922
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1ccc(OCCNC(=O)CCc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2/c1-15-8-10-18(14-16(15)2)22-13-12-20-19(21)11-9-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21)
InChIKeyCEJGGZHOMHZZME-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Mandestrobin
CID 10935908
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
Acetyl-DL-phenylalanine beta-naphthyl ester
CID 98192
Davasaicin
CID 177287
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
Cyclohexanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071655
Cyclobutanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071658

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide (CID 2876922) is N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide is Cc1ccc(OCCNC(=O)CCc2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is CEJGGZHOMHZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-8-10-18(14-16(15)2)22-13-12-20-19(21)11-9-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 2876922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).