4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride

C18H27ClN2O3 — CID 120934185

IUPAC4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCc2ccccc2OC2CCC2)CCOCC1
InChIInChI=1S/C18H26N2O3.ClH/c19-13-18(8-10-22-11-9-18)17(21)20-12-14-4-1-2-7-16(14)23-15-5-3-6-15;/h1-2,4,7,15H,3,5-6,8-13,19H2,(H,20,21);1H
InChIKeyKFJNFKYMAMZILA-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.41
Rot. Bonds6

About 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120934185) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120934185
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCc2ccccc2OC2CCC2)CCOCC1
InChIInChI=1S/C18H26N2O3.ClH/c19-13-18(8-10-22-11-9-18)17(21)20-12-14-4-1-2-7-16(14)23-15-5-3-6-15;/h1-2,4,7,15H,3,5-6,8-13,19H2,(H,20,21);1H
InChIKeyKFJNFKYMAMZILA-UHFFFAOYSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762
4-(aminomethyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120923003
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
CID 120920802
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120930913
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 51122736
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride (CID 120934185) is 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCc2ccccc2OC2CCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is KFJNFKYMAMZILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c19-13-18(8-10-22-11-9-18)17(21)20-12-14-4-1-2-7-16(14)23-15-5-3-6-15;/h1-2,4,7,15H,3,5-6,8-13,19H2,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).