2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide

C16H23NO2 — CID 97135002

IUPAC2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
SMILESCC[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-6-11(2)14(18)12-7-9-13(10-8-12)17-15(19)16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)/t11-/m0/s1
InChIKeyCFPAZFRBZHGEHZ-NSHDSACASA-N
MW261.36 g/mol
LogP3.90
Rot. Bonds4

About 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide

2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide (PubChem CID 97135002) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
PubChem CID97135002
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
SMILESCC[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-6-11(2)14(18)12-7-9-13(10-8-12)17-15(19)16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)/t11-/m0/s1
InChIKeyCFPAZFRBZHGEHZ-NSHDSACASA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide
CID 126512777
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
1-(4-acetylphenyl)-2-methylbutan-1-one;ethane
CID 178178337
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide (CID 97135002) is 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide is CC[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide?
The InChIKey is CFPAZFRBZHGEHZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-11(2)14(18)12-7-9-13(10-8-12)17-15(19)16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide has a molecular weight of 261.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide is sourced from PubChem (CID 97135002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).