N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide

C13H18N2O3 — CID 106297118

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
SMILESNCC1(NC(=O)c2cccc(O)c2)CCOCC1
InChIInChI=1S/C13H18N2O3/c14-9-13(4-6-18-7-5-13)15-12(17)10-2-1-3-11(16)8-10/h1-3,8,16H,4-7,9,14H2,(H,15,17)
InChIKeyKAADEYUFYMIKPG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.63
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide

N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide (PubChem CID 106297118) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
PubChem CID106297118
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
SMILESNCC1(NC(=O)c2cccc(O)c2)CCOCC1
InChIInChI=1S/C13H18N2O3/c14-9-13(4-6-18-7-5-13)15-12(17)10-2-1-3-11(16)8-10/h1-3,8,16H,4-7,9,14H2,(H,15,17)
InChIKeyKAADEYUFYMIKPG-UHFFFAOYSA-N
XLogP0.63
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106304718
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybenzamide
CID 63765152
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
N-[4-(chloromethyl)oxan-4-yl]-3-iodobenzamide
CID 106300481
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide (CID 106297118) is N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide is NCC1(NC(=O)c2cccc(O)c2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide?
The InChIKey is KAADEYUFYMIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-9-13(4-6-18-7-5-13)15-12(17)10-2-1-3-11(16)8-10/h1-3,8,16H,4-7,9,14H2,(H,15,17).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide?
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide is sourced from PubChem (CID 106297118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).