N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide

C13H18N2O2 — CID 103110226

IUPACN-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCc1c(N)cccc1CNC(=O)C1CCCO1
InChIInChI=1S/C13H18N2O2/c1-9-10(4-2-5-11(9)14)8-15-13(16)12-6-3-7-17-12/h2,4-5,12H,3,6-8,14H2,1H3,(H,15,16)
InChIKeyWDXARICHRIPJOK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.37
Rot. Bonds3

About N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide

N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 103110226) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide
PubChem CID103110226
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide
SMILESCc1c(N)cccc1CNC(=O)C1CCCO1
InChIInChI=1S/C13H18N2O2/c1-9-10(4-2-5-11(9)14)8-15-13(16)12-6-3-7-17-12/h2,4-5,12H,3,6-8,14H2,1H3,(H,15,16)
InChIKeyWDXARICHRIPJOK-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
N-[(3-amino-2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103110112
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide
CID 110275082
N-[(5-amino-2-methoxyphenyl)methyl]oxane-2-carboxamide
CID 55048276

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide (CID 103110226) is N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide is Cc1c(N)cccc1CNC(=O)C1CCCO1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is WDXARICHRIPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-10(4-2-5-11(9)14)8-15-13(16)12-6-3-7-17-12/h2,4-5,12H,3,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide?
N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 103110226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).