4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride

C23H32ClN3O2 — CID 67614626

IUPAC4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
SMILESCCCCN(CCCC)CCNC(=O)c1cc(C#N)c2ccccc2c1OC.Cl
InChIInChI=1S/C23H31N3O2.ClH/c1-4-6-13-26(14-7-5-2)15-12-25-23(27)21-16-18(17-24)19-10-8-9-11-20(19)22(21)28-3;/h8-11,16H,4-7,12-15H2,1-3H3,(H,25,27);1H
InChIKeyKJLZJZXGYPNCBR-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.77
Rot. Bonds11

About 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride

4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride (PubChem CID 67614626) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
PubChem CID67614626
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
SMILESCCCCN(CCCC)CCNC(=O)c1cc(C#N)c2ccccc2c1OC.Cl
InChIInChI=1S/C23H31N3O2.ClH/c1-4-6-13-26(14-7-5-2)15-12-25-23(27)21-16-18(17-24)19-10-8-9-11-20(19)22(21)28-3;/h8-11,16H,4-7,12-15H2,1-3H3,(H,25,27);1H
InChIKeyKJLZJZXGYPNCBR-UHFFFAOYSA-N
XLogP4.77
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis[2-[di(nonyl)amino]ethyl]benzene-1,2-dicarboxamide
CID 139956764
N-[[(2R)-1-butylpyrrolidin-1-ium-2-yl]methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
CID 86306119
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide
CID 68776684
N-[2-[butyl(octyl)amino]ethyl]-4-[4-[2-[butyl(octyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139955241
N-[2-[heptyl(pentyl)amino]ethyl]-4-[4-[2-[heptyl(pentyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139954407
1-N,3-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952505
1-N,3-N-bis[2-[ethyl(octyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952425
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
CID 19777006
3-[2-[2-[bis[2-[(5-bromo-3-carboxy-2-methoxybenzoyl)amino]ethyl]amino]ethyl-[2-[(5-bromo-3-carboxy-2-methoxybenzoyl)amino]ethyl]amino]ethylcarbamoyl]-5-bromo-2-methoxybenzoic acid
CID 147134660
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
1-N-[2-[3-[bis[2-[[2-hydroxy-3-(2-methoxyethylcarbamoyl)benzoyl]amino]ethyl]amino]propyl-[2-[[2-hydroxy-3-(2-methoxyethylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2-hydroxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 102479585

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride (CID 67614626) is 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride is CCCCN(CCCC)CCNC(=O)c1cc(C#N)c2ccccc2c1OC.Cl.
What is the InChIKey of 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride?
The InChIKey is KJLZJZXGYPNCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.ClH/c1-4-6-13-26(14-7-5-2)15-12-25-23(27)21-16-18(17-24)19-10-8-9-11-20(19)22(21)28-3;/h8-11,16H,4-7,12-15H2,1-3H3,(H,25,27);1H.
What are the key properties of 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride?
4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(dibutylamino)ethyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 67614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).