N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide

C13H18N2O2 — CID 65152082

IUPACN-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CC1CCCO1
InChIInChI=1S/C13H18N2O2/c1-9-7-10(14)4-5-12(9)15-13(16)8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeySBSLSVKCILWNOM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide

N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 65152082) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
PubChem CID65152082
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CC1CCCO1
InChIInChI=1S/C13H18N2O2/c1-9-7-10(14)4-5-12(9)15-13(16)8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeySBSLSVKCILWNOM-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
CID 103144399
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
3-[3-methyl-4-[[2-(oxolan-2-yl)acetyl]amino]phenyl]prop-2-enoic acid
CID 77057780
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
2-[3-methyl-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 125120862
N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
CID 63115519
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide (CID 65152082) is N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide is Cc1cc(N)ccc1NC(=O)CC1CCCO1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is SBSLSVKCILWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-10(14)4-5-12(9)15-13(16)8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide?
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65152082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).