N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide

C19H23NO3 — CID 4883251

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C19H23NO3/c1-14-7-6-8-16(13-14)23-12-11-19(21)20-15(2)17-9-4-5-10-18(17)22-3/h4-10,13,15H,11-12H2,1-3H3,(H,20,21)
InChIKeyKYQVKIWVDRQVOC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.65
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide

N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 4883251) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide
PubChem CID4883251
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C19H23NO3/c1-14-7-6-8-16(13-14)23-12-11-19(21)20-15(2)17-9-4-5-10-18(17)22-3/h4-10,13,15H,11-12H2,1-3H3,(H,20,21)
InChIKeyKYQVKIWVDRQVOC-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide (CID 4883251) is N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide is COc1ccccc1C(C)NC(=O)CCOc1cccc(C)c1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is KYQVKIWVDRQVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-7-6-8-16(13-14)23-12-11-19(21)20-15(2)17-9-4-5-10-18(17)22-3/h4-10,13,15H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide?
N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 4883251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).