(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride

C15H25ClN2O — CID 119288317

IUPAC(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)[C@H](C)N)c(C(C)C)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-9(2)12-6-7-14(13(8-12)10(3)4)17-15(18)11(5)16;/h6-11H,16H2,1-5H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyOTNJOVKHAFOIQR-MERQFXBCSA-N
MW284.83 g/mol
LogP3.64
Rot. Bonds4

About (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride (PubChem CID 119288317) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
PubChem CID119288317
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)[C@H](C)N)c(C(C)C)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-9(2)12-6-7-14(13(8-12)10(3)4)17-15(18)11(5)16;/h6-11H,16H2,1-5H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyOTNJOVKHAFOIQR-MERQFXBCSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
CID 106111576
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 116675423
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547
1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
CID 115452440
3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
CID 119132580
5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide
CID 120622117
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416
2-(5-amino-2-pyridinyl)-N-[2,4-di(propan-2-yl)phenyl]acetamide;hydrochloride
CID 120622112
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride (CID 119288317) is (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride is CC(C)c1ccc(NC(=O)[C@H](C)N)c(C(C)C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride?
The InChIKey is OTNJOVKHAFOIQR-MERQFXBCSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-9(2)12-6-7-14(13(8-12)10(3)4)17-15(18)11(5)16;/h6-11H,16H2,1-5H3,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119288317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).