3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride

C15H23ClN2O3 — CID 120501820

IUPAC3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1OC1CCOC1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(11(2)16)15(18)17-13-5-3-4-6-14(13)20-12-7-8-19-9-12;/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18);1H
InChIKeyUOGNHPPXUKKSBA-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.20
Rot. Bonds5

About 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride

3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride (PubChem CID 120501820) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
PubChem CID120501820
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccccc1OC1CCOC1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(11(2)16)15(18)17-13-5-3-4-6-14(13)20-12-7-8-19-9-12;/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18);1H
InChIKeyUOGNHPPXUKKSBA-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
CID 96542046
(2S,5R)-5-(aminomethyl)-N-[2-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120795372
2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid
CID 115005094
1-[3-(difluoromethylsulfonyl)phenyl]-3-[2-[(3S)-oxolan-3-yl]oxyphenyl]urea
CID 96542049
2-(oxolan-3-yloxy)benzamide
CID 68643948
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
N-[2-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119808751
2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide
CID 166430534
N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
CID 61287366
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
CID 66746226

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride (CID 120501820) is 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride is CC(N)C(C)C(=O)Nc1ccccc1OC1CCOC1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride?
The InChIKey is UOGNHPPXUKKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10(11(2)16)15(18)17-13-5-3-4-6-14(13)20-12-7-8-19-9-12;/h3-6,10-12H,7-9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120501820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).