2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide

C14H20N2O3 — CID 106296683

IUPAC2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-10-2-3-12(15)11(8-10)13(18)16-14(9-17)4-6-19-7-5-14/h2-3,8,17H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyYYUXHNQPXWPPPI-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide (PubChem CID 106296683) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
PubChem CID106296683
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-10-2-3-12(15)11(8-10)13(18)16-14(9-17)4-6-19-7-5-14/h2-3,8,17H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyYYUXHNQPXWPPPI-UHFFFAOYSA-N
XLogP0.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-2-nitrobenzamide
CID 106297438
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 103954201
5-amino-2-bromo-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296663
N-[4-(bromomethyl)oxan-4-yl]-2-hydroxy-4-methylbenzamide
CID 106304683
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
N-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide (CID 106296683) is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NC2(CO)CCOCC2)c1.
What is the InChIKey of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide?
The InChIKey is YYUXHNQPXWPPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-2-3-12(15)11(8-10)13(18)16-14(9-17)4-6-19-7-5-14/h2-3,8,17H,4-7,9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide?
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide is sourced from PubChem (CID 106296683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).