(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride

C14H23ClN2O — CID 119288877

IUPAC(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
SMILESCc1cc(C)c(CCNC(=O)[C@@H](C)N)c(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-9-7-10(2)13(11(3)8-9)5-6-16-14(17)12(4)15;/h7-8,12H,5-6,15H2,1-4H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyKEMQTDTWPVOTCG-UTONKHPSSA-N
MW270.80 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119288877) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
PubChem CID119288877
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
SMILESCc1cc(C)c(CCNC(=O)[C@@H](C)N)c(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-9-7-10(2)13(11(3)8-9)5-6-16-14(17)12(4)15;/h7-8,12H,5-6,15H2,1-4H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyKEMQTDTWPVOTCG-UTONKHPSSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride (CID 119288877) is (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride is Cc1cc(C)c(CCNC(=O)[C@@H](C)N)c(C)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is KEMQTDTWPVOTCG-UTONKHPSSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-9-7-10(2)13(11(3)8-9)5-6-16-14(17)12(4)15;/h7-8,12H,5-6,15H2,1-4H3,(H,16,17);1H/t12-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119288877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).