4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide

C18H28N2O2 — CID 119330460

IUPAC4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)16-15(5-4-10-22-16)12-20-17(21)14-8-6-13(11-19)7-9-14/h6-9,15-16H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyWILJFBCFBYEIAD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.72
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide

4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide (PubChem CID 119330460) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
PubChem CID119330460
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)16-15(5-4-10-22-16)12-20-17(21)14-8-6-13(11-19)7-9-14/h6-9,15-16H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyWILJFBCFBYEIAD-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959
4-[[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111624289
N-(2-amino-2-oxoethyl)-4-[[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111622845
4-[[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111624069
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-[[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111624145
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
2-[4-[(2-tert-butyloxan-3-yl)methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119186015
2-[4-[[(2R,3R)-2-tert-butyloxan-3-yl]methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 125153084
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
CID 129003470

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide (CID 119330460) is 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide is CC(C)(C)C1OCCCC1CNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide?
The InChIKey is WILJFBCFBYEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)16-15(5-4-10-22-16)12-20-17(21)14-8-6-13(11-19)7-9-14/h6-9,15-16H,4-5,10-12,19H2,1-3H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide?
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide is sourced from PubChem (CID 119330460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).