1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid

C24H19NO4 — CID 132557568

IUPAC1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESCOC(=O)N(C)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H19NO4/c1-25(24(28)29-2)20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23(26)27/h3-14H,1-2H3,(H,26,27)
InChIKeyNTMBPFKHDNGOFF-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.56
Rot. Bonds3

About 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid

1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid (PubChem CID 132557568) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid
PubChem CID132557568
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESCOC(=O)N(C)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H19NO4/c1-25(24(28)29-2)20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23(26)27/h3-14H,1-2H3,(H,26,27)
InChIKeyNTMBPFKHDNGOFF-UHFFFAOYSA-N
XLogP5.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid (CID 132557568) is 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid is COC(=O)N(C)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid?
The InChIKey is NTMBPFKHDNGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-25(24(28)29-2)20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23(26)27/h3-14H,1-2H3,(H,26,27).
What are the key properties of 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid?
1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 132557568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).