(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide

C14H22N2O — CID 119336726

IUPAC(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C14H22N2O/c1-9-5-10(2)7-13(6-9)8-11(3)16-14(17)12(4)15/h5-7,11-12H,8,15H2,1-4H3,(H,16,17)/t11?,12-/m1/s1
InChIKeyIRPHOROSQOMKIN-PIJUOVFKSA-N
MW234.34 g/mol
LogP1.70
Rot. Bonds4

About (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide

(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide (PubChem CID 119336726) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
PubChem CID119336726
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C14H22N2O/c1-9-5-10(2)7-13(6-9)8-11(3)16-14(17)12(4)15/h5-7,11-12H,8,15H2,1-4H3,(H,16,17)/t11?,12-/m1/s1
InChIKeyIRPHOROSQOMKIN-PIJUOVFKSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
CID 71998958
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
(2R)-2-amino-N-[1-(4-propan-2-ylphenyl)propan-2-yl]propanamide;hydrochloride
CID 120873867
1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
CID 95968508
(2S)-2-amino-3-[(3,5-dimethylphenyl)methyl]butanedioic acid
CID 44587882
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 95930302

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide (CID 119336726) is (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide is Cc1cc(C)cc(CC(C)NC(=O)[C@@H](C)N)c1.
What is the InChIKey of (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide?
The InChIKey is IRPHOROSQOMKIN-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-5-10(2)7-13(6-9)8-11(3)16-14(17)12(4)15/h5-7,11-12H,8,15H2,1-4H3,(H,16,17)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide?
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.70, 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-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 119336726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).