2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride

C17H27ClN2O3 — CID 119340205

IUPAC2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C)cc1OC1CCOC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-4-15(18)17(20)19-10-13-6-5-12(2)9-16(13)22-14-7-8-21-11-14;/h5-6,9,14-15H,3-4,7-8,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyIAVFYYHRRVIWJX-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.33
Rot. Bonds7

About 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride

2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119340205) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119340205
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C)cc1OC1CCOC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-4-15(18)17(20)19-10-13-6-5-12(2)9-16(13)22-14-7-8-21-11-14;/h5-6,9,14-15H,3-4,7-8,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyIAVFYYHRRVIWJX-UHFFFAOYSA-N
XLogP2.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
CID 119812658
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
CID 166406216
cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 125146337
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646
3-[2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 120551363
4-cyano-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-1H-pyrrole-2-carboxamide
CID 97224334
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride (CID 119340205) is 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccc(C)cc1OC1CCOC1.Cl.
What is the InChIKey of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is IAVFYYHRRVIWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-3-4-15(18)17(20)19-10-13-6-5-12(2)9-16(13)22-14-7-8-21-11-14;/h5-6,9,14-15H,3-4,7-8,10-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride?
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119340205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).