(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride

C17H27ClN2O2 — CID 119796181

IUPAC(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccccc1OC1CCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(2,3)15(18)16(20)19-11-12-7-4-5-10-14(12)21-13-8-6-9-13;/h4-5,7,10,13,15H,6,8-9,11,18H2,1-3H3,(H,19,20);1H/t15-;/m1./s1
InChIKeyFGVYQXAXZADSQE-XFULWGLBSA-N
MW326.87 g/mol
LogP3.03
Rot. Bonds5

About (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119796181) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119796181
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccccc1OC1CCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(2,3)15(18)16(20)19-11-12-7-4-5-10-14(12)21-13-8-6-9-13;/h4-5,7,10,13,15H,6,8-9,11,18H2,1-3H3,(H,19,20);1H/t15-;/m1./s1
InChIKeyFGVYQXAXZADSQE-XFULWGLBSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588362
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
1-tert-butyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine
CID 110964191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride (CID 119796181) is (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCc1ccccc1OC1CCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is FGVYQXAXZADSQE-XFULWGLBSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-17(2,3)15(18)16(20)19-11-12-7-4-5-10-14(12)21-13-8-6-9-13;/h4-5,7,10,13,15H,6,8-9,11,18H2,1-3H3,(H,19,20);1H/t15-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119796181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).