3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride

C15H23ClN2O2 — CID 119670098

IUPAC3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1CCCO1)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(14(16)12-6-3-2-4-7-12)15(18)17-10-13-8-5-9-19-13;/h2-4,6-7,11,13-14H,5,8-10,16H2,1H3,(H,17,18);1H
InChIKeyHKLPSWPTDWEHFT-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119670098) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119670098
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1CCCO1)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(14(16)12-6-3-2-4-7-12)15(18)17-10-13-8-5-9-19-13;/h2-4,6-7,11,13-14H,5,8-10,16H2,1H3,(H,17,18);1H
InChIKeyHKLPSWPTDWEHFT-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 76975426
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride (CID 119670098) is 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride is CC(C(=O)NCC1CCCO1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is HKLPSWPTDWEHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(14(16)12-6-3-2-4-7-12)15(18)17-10-13-8-5-9-19-13;/h2-4,6-7,11,13-14H,5,8-10,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119670098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).