3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride

C15H23ClN2O2 — CID 119302483

IUPAC3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C15H22N2O2.ClH/c16-9-8-15(18)17(12-14-7-4-10-19-14)11-13-5-2-1-3-6-13;/h1-3,5-6,14H,4,7-12,16H2;1H
InChIKeyWLLWDRBHOHMLFH-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.96
Rot. Bonds6

About 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride

3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119302483) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
PubChem CID119302483
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C15H22N2O2.ClH/c16-9-8-15(18)17(12-14-7-4-10-19-14)11-13-5-2-1-3-6-13;/h1-3,5-6,14H,4,7-12,16H2;1H
InChIKeyWLLWDRBHOHMLFH-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 72851148
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 54873321

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride (CID 119302483) is 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride is Cl.NCCC(=O)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is WLLWDRBHOHMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c16-9-8-15(18)17(12-14-7-4-10-19-14)11-13-5-2-1-3-6-13;/h1-3,5-6,14H,4,7-12,16H2;1H.
What are the key properties of 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride?
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119302483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).