(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide

C20H25NO3 — CID 92685168

IUPAC(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
SMILESCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-15-9-4-6-12-18(15)24-16(2)20(22)21-14-8-11-17-10-5-7-13-19(17)23-3/h4-7,9-10,12-13,16H,8,11,14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyDOSCLOVBODFCGN-INIZCTEOSA-N
MW327.42 g/mol
LogP3.52
Rot. Bonds8

About (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide

(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide (PubChem CID 92685168) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
PubChem CID92685168
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
SMILESCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-15-9-4-6-12-18(15)24-16(2)20(22)21-14-8-11-17-10-5-7-13-19(17)23-3/h4-7,9-10,12-13,16H,8,11,14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyDOSCLOVBODFCGN-INIZCTEOSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43907336
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
N-[3-(2-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133262053
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184
N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide (CID 92685168) is (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide is COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1C.
What is the InChIKey of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is DOSCLOVBODFCGN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-9-4-6-12-18(15)24-16(2)20(22)21-14-8-11-17-10-5-7-13-19(17)23-3/h4-7,9-10,12-13,16H,8,11,14H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 92685168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).