N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide

C20H28N2O — CID 142825847

IUPACN-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C20H28N2O/c1-4-5-12-22(3)13-6-11-21-20(23)19-10-9-17-14-16(2)7-8-18(17)15-19/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,21,23)
InChIKeyMVPJGEKOAROTET-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.00
Rot. Bonds8

About N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide

N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide (PubChem CID 142825847) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide
PubChem CID142825847
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C20H28N2O/c1-4-5-12-22(3)13-6-11-21-20(23)19-10-9-17-14-16(2)7-8-18(17)15-19/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,21,23)
InChIKeyMVPJGEKOAROTET-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 91722098
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CID 20549010
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CID 91722099
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CID 139953389
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
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N-[3-[butyl(methyl)amino]propyl]-8-chloro-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide
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CID 139954581

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide (CID 142825847) is N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide is CCCCN(C)CCCNC(=O)c1ccc2cc(C)ccc2c1.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide?
The InChIKey is MVPJGEKOAROTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-4-5-12-22(3)13-6-11-21-20(23)19-10-9-17-14-16(2)7-8-18(17)15-19/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide?
N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 142825847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).