2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide

C17H25NO2 — CID 110771074

IUPAC2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(C(C)C)cc1CC(=O)NCC1CCCO1
InChIInChI=1S/C17H25NO2/c1-12(2)14-7-6-13(3)15(9-14)10-17(19)18-11-16-5-4-8-20-16/h6-7,9,12,16H,4-5,8,10-11H2,1-3H3,(H,18,19)
InChIKeySYKNMFYGDRGWBL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110771074) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110771074
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(C(C)C)cc1CC(=O)NCC1CCCO1
InChIInChI=1S/C17H25NO2/c1-12(2)14-7-6-13(3)15(9-14)10-17(19)18-11-16-5-4-8-20-16/h6-7,9,12,16H,4-5,8,10-11H2,1-3H3,(H,18,19)
InChIKeySYKNMFYGDRGWBL-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18168407
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 110771074) is 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(C(C)C)cc1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SYKNMFYGDRGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)14-7-6-13(3)15(9-14)10-17(19)18-11-16-5-4-8-20-16/h6-7,9,12,16H,4-5,8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 275.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110771074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).