N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide

C16H25NO — CID 58983683

IUPACN-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(=O)N(C(c1ccccc1)C(C)C)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-12(2)15(14-10-8-7-9-11-14)17(13(3)18)16(4,5)6/h7-12,15H,1-6H3
InChIKeyYOHRAHVCYJEUCH-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.03
Rot. Bonds3

About N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide

N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 58983683) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
PubChem CID58983683
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(=O)N(C(c1ccccc1)C(C)C)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-12(2)15(14-10-8-7-9-11-14)17(13(3)18)16(4,5)6/h7-12,15H,1-6H3
InChIKeyYOHRAHVCYJEUCH-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
CID 158212954
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
CID 132607463
CID 132607463
tert-butyl-[(1S,2S)-2-hydroxy-3-methylsulfanyl-1-phenylpropyl]carbamic acid
CID 57363936
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 20583634
CID 100998329
CID 100998329
3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate
CID 140706005
acetic acid;cumene
CID 172767405
4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol
CID 87840436
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
CID 65061408
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide (CID 58983683) is N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide is CC(=O)N(C(c1ccccc1)C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide?
The InChIKey is YOHRAHVCYJEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15(14-10-8-7-9-11-14)17(13(3)18)16(4,5)6/h7-12,15H,1-6H3.
What are the key properties of N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide?
N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 247.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 58983683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).