(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide

C24H25NO3 — CID 40742883

IUPAC(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c1-19(28-23-16-10-9-15-22(23)27-2)24(26)25(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21/h3-16,19H,17-18H2,1-2H3/t19-/m0/s1
InChIKeyJFFUWVNWKRPIDA-IBGZPJMESA-N
MW375.47 g/mol
LogP4.69
Rot. Bonds8

About (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide

(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide (PubChem CID 40742883) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
PubChem CID40742883
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c1-19(28-23-16-10-9-15-22(23)27-2)24(26)25(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21/h3-16,19H,17-18H2,1-2H3/t19-/m0/s1
InChIKeyJFFUWVNWKRPIDA-IBGZPJMESA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
CID 4943546
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
(2S)-N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
CID 986606
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883866
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789556
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
methyl 2-[benzyl-[2-(2-bromo-4-methylphenoxy)propanoyl]amino]acetate
CID 55991956
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide (CID 40742883) is (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide is COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide?
The InChIKey is JFFUWVNWKRPIDA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25NO3/c1-19(28-23-16-10-9-15-22(23)27-2)24(26)25(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21/h3-16,19H,17-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide?
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 40742883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).