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

C15H23ClN2O2 — CID 119716804

IUPAC3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1CCOC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(14(16)13-5-3-2-4-6-13)15(18)17-9-12-7-8-19-10-12;/h2-6,11-12,14H,7-10,16H2,1H3,(H,17,18);1H
InChIKeyVNYVGCCTHHYPJY-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.90
Rot. Bonds5

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

3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119716804) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119716804
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1CCOC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(14(16)13-5-3-2-4-6-13)15(18)17-9-12-7-8-19-10-12;/h2-6,11-12,14H,7-10,16H2,1H3,(H,17,18);1H
InChIKeyVNYVGCCTHHYPJY-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119800003
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119865519
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
3-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide
CID 119812757
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 80552772

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride (CID 119716804) is 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride is CC(C(=O)NCC1CCOC1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is VNYVGCCTHHYPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(14(16)13-5-3-2-4-6-13)15(18)17-9-12-7-8-19-10-12;/h2-6,11-12,14H,7-10,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.90, 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-3-ylmethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119716804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).