4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride

C16H25ClN2O2 — CID 119343856

IUPAC4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
SMILESCC(C)C1OCCC1CNC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(2)15-14(7-8-20-15)10-18-16(19)13-5-3-12(9-17)4-6-13;/h3-6,11,14-15H,7-10,17H2,1-2H3,(H,18,19);1H
InChIKeyUQPTYHSBIUAERU-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.36
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride (PubChem CID 119343856) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
PubChem CID119343856
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
SMILESCC(C)C1OCCC1CNC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(2)15-14(7-8-20-15)10-18-16(19)13-5-3-12(9-17)4-6-13;/h3-6,11,14-15H,7-10,17H2,1-2H3,(H,18,19);1H
InChIKeyUQPTYHSBIUAERU-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
CID 119295756
N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95973460
2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
CID 167870611
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
2-(1,2-oxazol-3-yl)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]acetamide
CID 129003376
4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
CID 113264057
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride (CID 119343856) is 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride is CC(C)C1OCCC1CNC(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is UQPTYHSBIUAERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11(2)15-14(7-8-20-15)10-18-16(19)13-5-3-12(9-17)4-6-13;/h3-6,11,14-15H,7-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119343856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).