2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

C17H24N2O4 — CID 113160319

IUPAC2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(CC1CCCO1)C(C)=O
InChIInChI=1S/C17H24N2O4/c1-12-6-7-16(22-3)15(9-12)18-17(21)11-19(13(2)20)10-14-5-4-8-23-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,21)
InChIKeyYFMZNOUESGEICJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.97
Rot. Bonds6

About 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 113160319) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID113160319
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(CC1CCCO1)C(C)=O
InChIInChI=1S/C17H24N2O4/c1-12-6-7-16(22-3)15(9-12)18-17(21)11-19(13(2)20)10-14-5-4-8-23-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,21)
InChIKeyYFMZNOUESGEICJ-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55995832
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113160372
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113160309
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea
CID 4163551
N-[N-(2-methoxy-5-methylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-4-methylbenzamide
CID 94090276
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55331477

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 113160319) is 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(CC1CCCO1)C(C)=O.
What is the InChIKey of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is YFMZNOUESGEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-6-7-16(22-3)15(9-12)18-17(21)11-19(13(2)20)10-14-5-4-8-23-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113160319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).