N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide

C14H20N2O2 — CID 114104996

IUPACN-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H20N2O2/c1-2-13-12(7-8-18-13)14(17)16-11-5-3-10(9-15)4-6-11/h3-6,12-13H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyHCUUMVSCUNOBTG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide

N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide (PubChem CID 114104996) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
PubChem CID114104996
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H20N2O2/c1-2-13-12(7-8-18-13)14(17)16-11-5-3-10(9-15)4-6-11/h3-6,12-13H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyHCUUMVSCUNOBTG-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
2-ethyl-N-(3-hydroxy-4-methylphenyl)oxolane-3-carboxamide
CID 114104202
2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide
CID 114104398
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
CID 114105082
(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
CID 129479241
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
CID 114240858
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79763807
N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide
CID 114258881
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
2-ethyl-N-(1H-pyrrol-3-ylmethyl)oxolane-3-carboxamide
CID 106386035

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide (CID 114104996) is N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide?
The InChIKey is HCUUMVSCUNOBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13-12(7-8-18-13)14(17)16-11-5-3-10(9-15)4-6-11/h3-6,12-13H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide?
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114104996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).