N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide

C19H26N2O2 — CID 24650094

IUPACN-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCC(C(C)C)N(C)C
InChIInChI=1S/C19H26N2O2/c1-13(2)17(21(3)4)12-20-19(22)16-10-14-8-6-7-9-15(14)11-18(16)23-5/h6-11,13,17H,12H2,1-5H3,(H,20,22)
InChIKeyPFJIUMFWZMLAAZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide

N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 24650094) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID24650094
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCC(C(C)C)N(C)C
InChIInChI=1S/C19H26N2O2/c1-13(2)17(21(3)4)12-20-19(22)16-10-14-8-6-7-9-15(14)11-18(16)23-5/h6-11,13,17H,12H2,1-5H3,(H,20,22)
InChIKeyPFJIUMFWZMLAAZ-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
CID 43910398
[(1R)-1-(furan-2-yl)-2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]-dimethylazanium
CID 7831147
3-methoxy-N'-methyl-N'-phenylnaphthalene-2-carbohydrazide
CID 9479564
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide (CID 24650094) is N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCC(C(C)C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is PFJIUMFWZMLAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)17(21(3)4)12-20-19(22)16-10-14-8-6-7-9-15(14)11-18(16)23-5/h6-11,13,17H,12H2,1-5H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide?
N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 24650094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).