2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide

C14H20N2O2 — CID 114172118

IUPAC2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-10-3-5-11(6-4-10)13(15)14(17)16(2)12-7-8-18-9-12/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyLXIIMRJWPFWXLL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.24
Rot. Bonds3

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

2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide (PubChem CID 114172118) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide
PubChem CID114172118
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-10-3-5-11(6-4-10)13(15)14(17)16(2)12-7-8-18-9-12/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyLXIIMRJWPFWXLL-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
2-amino-N-(4,4-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312536
2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312221
2-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666510
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
3-amino-N,2-dimethyl-N-(oxolan-3-yl)butanamide;hydrochloride
CID 120500471
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
4-amino-N-methyl-N-(oxolan-3-yl)-4-phenylbutanamide
CID 81489574
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid
CID 103868808
2-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-(4-methylphenyl)acetamide
CID 106312189
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide (CID 114172118) is 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide is Cc1ccc(C(N)C(=O)N(C)C2CCOC2)cc1.
What is the InChIKey of 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide?
The InChIKey is LXIIMRJWPFWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-5-11(6-4-10)13(15)14(17)16(2)12-7-8-18-9-12/h3-6,12-13H,7-9,15H2,1-2H3.
What are the key properties of 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide?
2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 114172118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).