2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide

C23H31NO3 — CID 132655453

IUPAC2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(CC)Oc1ccccc1C
InChIInChI=1S/C23H31NO3/c1-4-17-26-22-15-9-7-12-19(22)13-10-16-24-23(25)20(5-2)27-21-14-8-6-11-18(21)3/h6-9,11-12,14-15,20H,4-5,10,13,16-17H2,1-3H3,(H,24,25)
InChIKeyVRHDEAAVHDIEME-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.69
Rot. Bonds11

About 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide

2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide (PubChem CID 132655453) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
PubChem CID132655453
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(CC)Oc1ccccc1C
InChIInChI=1S/C23H31NO3/c1-4-17-26-22-15-9-7-12-19(22)13-10-16-24-23(25)20(5-2)27-21-14-8-6-11-18(21)3/h6-9,11-12,14-15,20H,4-5,10,13,16-17H2,1-3H3,(H,24,25)
InChIKeyVRHDEAAVHDIEME-UHFFFAOYSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.69
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-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161622
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide (CID 132655453) is 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide is CCCOc1ccccc1CCCNC(=O)C(CC)Oc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide?
The InChIKey is VRHDEAAVHDIEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-17-26-22-15-9-7-12-19(22)13-10-16-24-23(25)20(5-2)27-21-14-8-6-11-18(21)3/h6-9,11-12,14-15,20H,4-5,10,13,16-17H2,1-3H3,(H,24,25).
What are the key properties of 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide?
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide has a molecular weight of 369.51 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide is sourced from PubChem (CID 132655453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).