N,2,2-trimethyl-N-(1-phenylethyl)butanamide

C15H23NO — CID 121446741

IUPACN,2,2-trimethyl-N-(1-phenylethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-6-15(3,4)14(17)16(5)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3
InChIKeyCWCRVUYFCYDBSD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.64
Rot. Bonds4

About N,2,2-trimethyl-N-(1-phenylethyl)butanamide

N,2,2-trimethyl-N-(1-phenylethyl)butanamide (PubChem CID 121446741) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(1-phenylethyl)butanamide
PubChem CID121446741
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,2,2-trimethyl-N-(1-phenylethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-6-15(3,4)14(17)16(5)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3
InChIKeyCWCRVUYFCYDBSD-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(1-phenylethyl)butanamide?
The IUPAC name of N,2,2-trimethyl-N-(1-phenylethyl)butanamide (CID 121446741) is N,2,2-trimethyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for N,2,2-trimethyl-N-(1-phenylethyl)butanamide is CCC(C)(C)C(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of N,2,2-trimethyl-N-(1-phenylethyl)butanamide?
The InChIKey is CWCRVUYFCYDBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-15(3,4)14(17)16(5)12(2)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-(1-phenylethyl)butanamide?
N,2,2-trimethyl-N-(1-phenylethyl)butanamide has a molecular weight of 233.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 121446741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).