[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate

C22H21NO3 — CID 4785034

IUPAC[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H21NO3/c1-16(21(24)23(2)15-17-8-4-3-5-9-17)26-22(25)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16H,15H2,1-2H3
InChIKeyIOZGJCNRWBZRIH-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.04
Rot. Bonds5

About [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate (PubChem CID 4785034) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate
PubChem CID4785034
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H21NO3/c1-16(21(24)23(2)15-17-8-4-3-5-9-17)26-22(25)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16H,15H2,1-2H3
InChIKeyIOZGJCNRWBZRIH-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate?
The IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate (CID 4785034) is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate.
What is the SMILES notation for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate?
The canonical SMILES for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate is CC(OC(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate?
The InChIKey is IOZGJCNRWBZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-16(21(24)23(2)15-17-8-4-3-5-9-17)26-22(25)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16H,15H2,1-2H3.
What are the key properties of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate?
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 4785034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).