N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide

C14H20N2O3 — CID 43376615

IUPACN-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1ccc(NC(=O)COCC2CCCO2)cc1N
InChIInChI=1S/C14H20N2O3/c1-10-4-5-11(7-13(10)15)16-14(17)9-18-8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyCJKOWRFHAVGIFN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds5

About N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide

N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 43376615) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID43376615
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1ccc(NC(=O)COCC2CCCO2)cc1N
InChIInChI=1S/C14H20N2O3/c1-10-4-5-11(7-13(10)15)16-14(17)9-18-8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyCJKOWRFHAVGIFN-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 96570205
N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126830880
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831946
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide (CID 43376615) is N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide is Cc1ccc(NC(=O)COCC2CCCO2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is CJKOWRFHAVGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-5-11(7-13(10)15)16-14(17)9-18-8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 43376615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).