methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate

C16H21NO3 — CID 70996320

IUPACmethyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(C)CC(C)c2ccccc2C1NC(C)=O
InChIInChI=1S/C16H21NO3/c1-10-9-16(3,15(19)20-4)14(17-11(2)18)13-8-6-5-7-12(10)13/h5-8,10,14H,9H2,1-4H3,(H,17,18)
InChIKeyFIZORBUSHWSKOJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.55
Rot. Bonds2

About methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 70996320) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID70996320
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(C)CC(C)c2ccccc2C1NC(C)=O
InChIInChI=1S/C16H21NO3/c1-10-9-16(3,15(19)20-4)14(17-11(2)18)13-8-6-5-7-12(10)13/h5-8,10,14H,9H2,1-4H3,(H,17,18)
InChIKeyFIZORBUSHWSKOJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 70996320) is methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)C1(C)CC(C)c2ccccc2C1NC(C)=O.
What is the InChIKey of methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is FIZORBUSHWSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-9-16(3,15(19)20-4)14(17-11(2)18)13-8-6-5-7-12(10)13/h5-8,10,14H,9H2,1-4H3,(H,17,18).
What are the key properties of methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 70996320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).