N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide

C24H26N2O4 — CID 4787056

IUPACN-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C24H26N2O4/c1-4-30-21-12-9-17(13-22(21)29-3)16-26(2)23(27)15-25-24(28)20-11-10-18-7-5-6-8-19(18)14-20/h5-14H,4,15-16H2,1-3H3,(H,25,28)
InChIKeyMRPAXOLBKIZCRZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.64
Rot. Bonds8

About N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 4787056) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID4787056
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C24H26N2O4/c1-4-30-21-12-9-17(13-22(21)29-3)16-26(2)23(27)15-25-24(28)20-11-10-18-7-5-6-8-19(18)14-20/h5-14H,4,15-16H2,1-3H3,(H,25,28)
InChIKeyMRPAXOLBKIZCRZ-UHFFFAOYSA-N
XLogP3.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide (CID 4787056) is N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide is CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is MRPAXOLBKIZCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-4-30-21-12-9-17(13-22(21)29-3)16-26(2)23(27)15-25-24(28)20-11-10-18-7-5-6-8-19(18)14-20/h5-14H,4,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 4787056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).