N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

C22H29NO3 — CID 43907336

IUPACN-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1ccccc1CCCNC(=O)C(C)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C22H29NO3/c1-15-13-16(2)17(3)21(14-15)26-18(4)22(24)23-12-8-10-19-9-6-7-11-20(19)25-5/h6-7,9,11,13-14,18H,8,10,12H2,1-5H3,(H,23,24)
InChIKeyGAQQLYPGWVMJLY-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.14
Rot. Bonds8

About N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 43907336) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID43907336
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1ccccc1CCCNC(=O)C(C)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C22H29NO3/c1-15-13-16(2)17(3)21(14-15)26-18(4)22(24)23-12-8-10-19-9-6-7-11-20(19)25-5/h6-7,9,11,13-14,18H,8,10,12H2,1-5H3,(H,23,24)
InChIKeyGAQQLYPGWVMJLY-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.14
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

(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 43907336) is N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is COc1ccccc1CCCNC(=O)C(C)Oc1cc(C)cc(C)c1C.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is GAQQLYPGWVMJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15-13-16(2)17(3)21(14-15)26-18(4)22(24)23-12-8-10-19-9-6-7-11-20(19)25-5/h6-7,9,11,13-14,18H,8,10,12H2,1-5H3,(H,23,24).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 43907336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).