2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide

C14H20N2O4 — CID 106296667

IUPAC2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H20N2O4/c1-19-11-4-2-3-10(15)12(11)13(18)16-14(9-17)5-7-20-8-6-14/h2-4,17H,5-9,15H2,1H3,(H,16,18)
InChIKeyFIPAWLSRQNZDPS-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.55
Rot. Bonds4

About 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide (PubChem CID 106296667) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
PubChem CID106296667
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H20N2O4/c1-19-11-4-2-3-10(15)12(11)13(18)16-14(9-17)5-7-20-8-6-14/h2-4,17H,5-9,15H2,1H3,(H,16,18)
InChIKeyFIPAWLSRQNZDPS-UHFFFAOYSA-N
XLogP0.55
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
CID 81394673
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide (CID 106296667) is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide is COc1cccc(N)c1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide?
The InChIKey is FIPAWLSRQNZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-11-4-2-3-10(15)12(11)13(18)16-14(9-17)5-7-20-8-6-14/h2-4,17H,5-9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide?
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide has a molecular weight of 280.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide is sourced from PubChem (CID 106296667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).