(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide

C17H26N2O2 — CID 30796588

IUPAC(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)N[C@H](C(=O)N(C)Cc1ccc(C)cc1C)C(C)C
InChIInChI=1S/C17H26N2O2/c1-11(2)16(18-14(5)20)17(21)19(6)10-15-8-7-12(3)9-13(15)4/h7-9,11,16H,10H2,1-6H3,(H,18,20)/t16-/m0/s1
InChIKeySRHIXPDAEFBHGM-INIZCTEOSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds5

About (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide

(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 30796588) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID30796588
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)N[C@H](C(=O)N(C)Cc1ccc(C)cc1C)C(C)C
InChIInChI=1S/C17H26N2O2/c1-11(2)16(18-14(5)20)17(21)19(6)10-15-8-7-12(3)9-13(15)4/h7-9,11,16H,10H2,1-6H3,(H,18,20)/t16-/m0/s1
InChIKeySRHIXPDAEFBHGM-INIZCTEOSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 47313257
N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853116
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 134053978
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide
CID 51481363
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
CID 18119674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide (CID 30796588) is (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide is CC(=O)N[C@H](C(=O)N(C)Cc1ccc(C)cc1C)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is SRHIXPDAEFBHGM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)16(18-14(5)20)17(21)19(6)10-15-8-7-12(3)9-13(15)4/h7-9,11,16H,10H2,1-6H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide?
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 30796588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).