N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

C15H22N2O2 — CID 65156923

IUPACN-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCc2ccccc2N)C1C
InChIInChI=1S/C15H22N2O2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h4-7,9-11,14H,8,16H2,1-3H3,(H,17,18)
InChIKeyBPIFSABVBXWSGU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156923) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156923
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCc2ccccc2N)C1C
InChIInChI=1S/C15H22N2O2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h4-7,9-11,14H,8,16H2,1-3H3,(H,17,18)
InChIKeyBPIFSABVBXWSGU-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
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-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
N-[(2-aminophenyl)methyl]-3-methylsulfanylpropanamide
CID 62057045
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65156905
N-[(3-amino-2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103110112
2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65151983
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65156923) is N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCc2ccccc2N)C1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is BPIFSABVBXWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h4-7,9-11,14H,8,16H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).