N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide

C27H32N2O4 — CID 18936473

IUPACN-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCCCCC(NC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C27H32N2O4/c1-5-6-11-22(26-23(32-3)14-18(2)15-24(26)33-4)29-25(30)17-28-27(31)21-13-12-19-9-7-8-10-20(19)16-21/h7-10,12-16,22H,5-6,11,17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyWULMGSQYXMZQIV-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.94
Rot. Bonds10

About N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 18936473) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID18936473
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCCCCC(NC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C27H32N2O4/c1-5-6-11-22(26-23(32-3)14-18(2)15-24(26)33-4)29-25(30)17-28-27(31)21-13-12-19-9-7-8-10-20(19)16-21/h7-10,12-16,22H,5-6,11,17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyWULMGSQYXMZQIV-UHFFFAOYSA-N
XLogP4.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide (CID 18936473) is N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide is CCCCC(NC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(OC)cc(C)cc1OC.
What is the InChIKey of N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is WULMGSQYXMZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-5-6-11-22(26-23(32-3)14-18(2)15-24(26)33-4)29-25(30)17-28-27(31)21-13-12-19-9-7-8-10-20(19)16-21/h7-10,12-16,22H,5-6,11,17H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18936473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).