N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide

C14H20N2O2 — CID 114105082

IUPACN-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCc1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-2-13-12(6-7-18-13)14(17)16-9-10-4-3-5-11(15)8-10/h3-5,8,12-13H,2,6-7,9,15H2,1H3,(H,16,17)
InChIKeyYHXUUXFWCUHIRH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide

N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide (PubChem CID 114105082) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
PubChem CID114105082
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCc1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-2-13-12(6-7-18-13)14(17)16-9-10-4-3-5-11(15)8-10/h3-5,8,12-13H,2,6-7,9,15H2,1H3,(H,16,17)
InChIKeyYHXUUXFWCUHIRH-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
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

2-ethyl-N-(1H-pyrrol-3-ylmethyl)oxolane-3-carboxamide
CID 106386035
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996
2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
CID 128995855
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 122148757
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide
CID 114104398
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide
CID 62499956
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide (CID 114105082) is N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide?
The InChIKey is YHXUUXFWCUHIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13-12(6-7-18-13)14(17)16-9-10-4-3-5-11(15)8-10/h3-5,8,12-13H,2,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide?
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114105082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).