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

C16H24N2O4 — CID 120924293

IUPAC4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C16H24N2O4/c1-20-9-10-22-14-4-2-3-13(11-14)18-15(19)16(12-17)5-7-21-8-6-16/h2-4,11H,5-10,12,17H2,1H3,(H,18,19)
InChIKeyJLVYRBDUJDFHBA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.41
Rot. Bonds7

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

4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide (PubChem CID 120924293) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
PubChem CID120924293
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C16H24N2O4/c1-20-9-10-22-14-4-2-3-13(11-14)18-15(19)16(12-17)5-7-21-8-6-16/h2-4,11H,5-10,12,17H2,1H3,(H,18,19)
InChIKeyJLVYRBDUJDFHBA-UHFFFAOYSA-N
XLogP1.41
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[3-[(3-methylphenyl)methoxy]phenyl]oxane-4-carboxamide
CID 120932465
4-(aminomethyl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120922910
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
CID 120921235
4-(aminomethyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939727
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452621
4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
CID 120922863
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106825950

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide (CID 120924293) is 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide is COCCOc1cccc(NC(=O)C2(CN)CCOCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide?
The InChIKey is JLVYRBDUJDFHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-9-10-22-14-4-2-3-13(11-14)18-15(19)16(12-17)5-7-21-8-6-16/h2-4,11H,5-10,12,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120924293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).