N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide

C19H23NO3 — CID 26882953

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-13-23-16-11-9-15(10-12-16)19(21)20-14(2)17-7-5-6-8-18(17)22-3/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeySSOGQHXQMRLOOS-CQSZACIVSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds7

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide (PubChem CID 26882953) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
PubChem CID26882953
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-13-23-16-11-9-15(10-12-16)19(21)20-14(2)17-7-5-6-8-18(17)22-3/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeySSOGQHXQMRLOOS-CQSZACIVSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide (CID 26882953) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The InChIKey is SSOGQHXQMRLOOS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-13-23-16-11-9-15(10-12-16)19(21)20-14(2)17-7-5-6-8-18(17)22-3/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide is sourced from PubChem (CID 26882953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).