4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride

C17H25ClN2O2 — CID 120931146

IUPAC4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CC(c3ccccc3)C2)CCOCC1
InChIInChI=1S/C17H24N2O2.ClH/c18-12-17(6-8-21-9-7-17)16(20)19-15-10-14(11-15)13-4-2-1-3-5-13;/h1-5,14-15H,6-12,18H2,(H,19,20);1H
InChIKeyAYLJJZDNGIMDBD-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.23
Rot. Bonds4

About 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120931146) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
PubChem CID120931146
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CC(c3ccccc3)C2)CCOCC1
InChIInChI=1S/C17H24N2O2.ClH/c18-12-17(6-8-21-9-7-17)16(20)19-15-10-14(11-15)13-4-2-1-3-5-13;/h1-5,14-15H,6-12,18H2,(H,19,20);1H
InChIKeyAYLJJZDNGIMDBD-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide
CID 119716208
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
CID 120935074
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
CID 120933820
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(methoxymethyl)-N-(3-phenylcyclobutyl)piperidine-4-carboxamide;hydrochloride
CID 120630981
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride (CID 120931146) is 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CC(c3ccccc3)C2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is AYLJJZDNGIMDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c18-12-17(6-8-21-9-7-17)16(20)19-15-10-14(11-15)13-4-2-1-3-5-13;/h1-5,14-15H,6-12,18H2,(H,19,20);1H.
What are the key properties of 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120931146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).