N-acetyl-N-(2-tert-butylphenyl)propanamide

C15H21NO2 — CID 15889837

IUPACN-acetyl-N-(2-tert-butylphenyl)propanamide
SMILESCCC(=O)N(C(C)=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-6-14(18)16(11(2)17)13-10-8-7-9-12(13)15(3,4)5/h7-10H,6H2,1-5H3
InChIKeyCCUYNJCCDDBBOM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.27
Rot. Bonds2

About N-acetyl-N-(2-tert-butylphenyl)propanamide

N-acetyl-N-(2-tert-butylphenyl)propanamide (PubChem CID 15889837) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-acetyl-N-(2-tert-butylphenyl)propanamide.

Molecular Properties

Compound NameN-acetyl-N-(2-tert-butylphenyl)propanamide
PubChem CID15889837
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-acetyl-N-(2-tert-butylphenyl)propanamide
SMILESCCC(=O)N(C(C)=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-6-14(18)16(11(2)17)13-10-8-7-9-12(13)15(3,4)5/h7-10H,6H2,1-5H3
InChIKeyCCUYNJCCDDBBOM-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide
CID 100944178
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
CID 67892276
N-(2-tert-butylphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 20561480
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
CID 162581119
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-tert-butylphenyl)propanamide?
The IUPAC name of N-acetyl-N-(2-tert-butylphenyl)propanamide (CID 15889837) is N-acetyl-N-(2-tert-butylphenyl)propanamide.
What is the SMILES notation for N-acetyl-N-(2-tert-butylphenyl)propanamide?
The canonical SMILES for N-acetyl-N-(2-tert-butylphenyl)propanamide is CCC(=O)N(C(C)=O)c1ccccc1C(C)(C)C.
What is the InChIKey of N-acetyl-N-(2-tert-butylphenyl)propanamide?
The InChIKey is CCUYNJCCDDBBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-14(18)16(11(2)17)13-10-8-7-9-12(13)15(3,4)5/h7-10H,6H2,1-5H3.
What are the key properties of N-acetyl-N-(2-tert-butylphenyl)propanamide?
N-acetyl-N-(2-tert-butylphenyl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-tert-butylphenyl)propanamide is sourced from PubChem (CID 15889837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).