1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one

C19H29NO2 — CID 14149398

IUPAC1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CC(=O)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(21)13-20(14-17(22)19(4,5)6)12-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKeyUATQWWAGLNQRRN-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.72
Rot. Bonds6

About 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one

1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 14149398) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one
PubChem CID14149398
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CC(=O)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(21)13-20(14-17(22)19(4,5)6)12-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKeyUATQWWAGLNQRRN-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one (CID 14149398) is 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN(CC(=O)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is UATQWWAGLNQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2,3)16(21)13-20(14-17(22)19(4,5)6)12-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3.
What are the key properties of 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one?
1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 303.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(3,3-dimethyl-2-oxobutyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 14149398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).