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

C14H22N2O — CID 94686299

IUPAC(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)[C@@H](C)N)c(C)c1
InChIInChI=1S/C14H22N2O/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)/t12-/m1/s1
InChIKeySXORQPVKMUPNQM-GFCCVEGCSA-N
MW234.34 g/mol
LogP1.62
Rot. Bonds4

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

(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (PubChem CID 94686299) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
PubChem CID94686299
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)[C@@H](C)N)c(C)c1
InChIInChI=1S/C14H22N2O/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)/t12-/m1/s1
InChIKeySXORQPVKMUPNQM-GFCCVEGCSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 94693681
2-methyl-3-oxo-3-[2-(2,4,6-trimethylphenyl)ethylamino]propanoic acid
CID 115164343
2-hydroxy-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115140912
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
CID 120500978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (CID 94686299) is (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(CCNC(=O)[C@@H](C)N)c(C)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The InChIKey is SXORQPVKMUPNQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O/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)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.62, 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 is sourced from PubChem (CID 94686299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).