2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide

C13H18N2O3 — CID 82838220

IUPAC2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide
SMILESCOc1cccc(NC(C(N)=O)C2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-5-2-4-9(8-10)15-12(13(14)16)11-6-3-7-18-11/h2,4-5,8,11-12,15H,3,6-7H2,1H3,(H2,14,16)
InChIKeySUMWRAPUOKCENW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide

2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide (PubChem CID 82838220) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide
PubChem CID82838220
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide
SMILESCOc1cccc(NC(C(N)=O)C2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-5-2-4-9(8-10)15-12(13(14)16)11-6-3-7-18-11/h2,4-5,8,11-12,15H,3,6-7H2,1H3,(H2,14,16)
InChIKeySUMWRAPUOKCENW-UHFFFAOYSA-N
XLogP1.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluoroanilino)-2-(oxolan-2-yl)acetate
CID 82836869
2-(2-methylanilino)-2-(oxolan-2-yl)acetamide
CID 82836748
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
1-(3-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675898
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838074
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82840137
2-(2-fluoroanilino)-2-(oxolan-2-yl)acetamide
CID 82836977
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N'-cyclopropyl-2-(3-methoxyanilino)butanediamide
CID 66429794
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
CID 135058981

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide?
The IUPAC name of 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide (CID 82838220) is 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide is COc1cccc(NC(C(N)=O)C2CCCO2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide?
The InChIKey is SUMWRAPUOKCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-5-2-4-9(8-10)15-12(13(14)16)11-6-3-7-18-11/h2,4-5,8,11-12,15H,3,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide?
2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 82838220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).