(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide

C15H24N2O — CID 104903373

IUPAC(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
SMILESCCc1ccc(N(C)C(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)17(4)15(18)14(16)10-11(2)3/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m1/s1
InChIKeyWLNNGZJEAGMTCN-CQSZACIVSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide

(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide (PubChem CID 104903373) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
PubChem CID104903373
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
SMILESCCc1ccc(N(C)C(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)17(4)15(18)14(16)10-11(2)3/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m1/s1
InChIKeyWLNNGZJEAGMTCN-CQSZACIVSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]benzoic acid
CID 104698691
(2S)-2-amino-3-(3,5-difluorophenyl)-N-(4-ethylphenyl)-N-methylpropanamide;sulfane
CID 161382530
N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187214
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116849043
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide (CID 104903373) is (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide is CCc1ccc(N(C)C(=O)[C@H](N)CC(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide?
The InChIKey is WLNNGZJEAGMTCN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)17(4)15(18)14(16)10-11(2)3/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide?
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 104903373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).