(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride

C13H21ClN2O2 — CID 119305650

IUPAC(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(OC(C)(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(14)12(16)15-10-5-7-11(8-6-10)17-13(2,3)4;/h5-9H,14H2,1-4H3,(H,15,16);1H/t9-;/m0./s1
InChIKeySCMQNHWSNMGFQB-FVGYRXGTSA-N
MW272.78 g/mol
LogP2.57
Rot. Bonds3

About (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride (PubChem CID 119305650) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
PubChem CID119305650
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(OC(C)(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(14)12(16)15-10-5-7-11(8-6-10)17-13(2,3)4;/h5-9H,14H2,1-4H3,(H,15,16);1H/t9-;/m0./s1
InChIKeySCMQNHWSNMGFQB-FVGYRXGTSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
(2S)-2-amino-N-(4-tert-butylsulfanylphenyl)propanamide
CID 119315495

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride (CID 119305650) is (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccc(OC(C)(C)C)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride?
The InChIKey is SCMQNHWSNMGFQB-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9(14)12(16)15-10-5-7-11(8-6-10)17-13(2,3)4;/h5-9H,14H2,1-4H3,(H,15,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119305650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).