1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid

C15H19NO3 — CID 55232986

IUPAC1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCC(C)(C)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-10(17)16-15(13(18)19)9-8-14(2,3)11-6-4-5-7-12(11)15/h4-7H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKHJFQKVRKGTKQA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds2

About 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid

1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid (PubChem CID 55232986) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
PubChem CID55232986
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCC(C)(C)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-10(17)16-15(13(18)19)9-8-14(2,3)11-6-4-5-7-12(11)15/h4-7H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKHJFQKVRKGTKQA-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid (CID 55232986) is 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid is CC(=O)NC1(C(=O)O)CCC(C)(C)c2ccccc21.
What is the InChIKey of 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The InChIKey is KHJFQKVRKGTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(17)16-15(13(18)19)9-8-14(2,3)11-6-4-5-7-12(11)15/h4-7H,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 55232986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).