(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide

C17H27NO3 — CID 9180877

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C17H27NO3/c1-12(2)20-10-6-9-18-17(19)15(5)21-16-8-7-13(3)14(4)11-16/h7-8,11-12,15H,6,9-10H2,1-5H3,(H,18,19)/t15-/m1/s1
InChIKeyMROOSAKTRVOWFX-OAHLLOKOSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds8

About (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 9180877) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID9180877
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C17H27NO3/c1-12(2)20-10-6-9-18-17(19)15(5)21-16-8-7-13(3)14(4)11-16/h7-8,11-12,15H,6,9-10H2,1-5H3,(H,18,19)/t15-/m1/s1
InChIKeyMROOSAKTRVOWFX-OAHLLOKOSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
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

(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
1-[(3,4-dimethylphenoxy)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 108879148
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 9182040

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide (CID 9180877) is (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide is Cc1ccc(O[C@H](C)C(=O)NCCCOC(C)C)cc1C.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is MROOSAKTRVOWFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)20-10-6-9-18-17(19)15(5)21-16-8-7-13(3)14(4)11-16/h7-8,11-12,15H,6,9-10H2,1-5H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 9180877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).