N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide

C22H25N3O3 — CID 25190380

IUPACN-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESCOCC/N=C(\N)NC(=O)c1ccc2c(c1)C(c1ccccc1OC)=CCC2
InChIInChI=1S/C22H25N3O3/c1-27-13-12-24-22(23)25-21(26)16-11-10-15-6-5-8-17(19(15)14-16)18-7-3-4-9-20(18)28-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H3,23,24,25,26)
InChIKeyDAHPAUYRYLFZOK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.76
Rot. Bonds6

About N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide

N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 25190380) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
PubChem CID25190380
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESCOCC/N=C(\N)NC(=O)c1ccc2c(c1)C(c1ccccc1OC)=CCC2
InChIInChI=1S/C22H25N3O3/c1-27-13-12-24-22(23)25-21(26)16-11-10-15-6-5-8-17(19(15)14-16)18-7-3-4-9-20(18)28-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H3,23,24,25,26)
InChIKeyDAHPAUYRYLFZOK-UHFFFAOYSA-N
XLogP2.76
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide (CID 25190380) is N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide is COCC/N=C(\N)NC(=O)c1ccc2c(c1)C(c1ccccc1OC)=CCC2.
What is the InChIKey of N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is DAHPAUYRYLFZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-13-12-24-22(23)25-21(26)16-11-10-15-6-5-8-17(19(15)14-16)18-7-3-4-9-20(18)28-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H3,23,24,25,26).
What are the key properties of N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide?
N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 25190380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).