N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide

C18H23NO3 — CID 138023940

IUPACN-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide
SMILESCOC(C)(CO)CNC(=O)c1c(C)ccc2cc(C)ccc12
InChIInChI=1S/C18H23NO3/c1-12-5-8-15-14(9-12)7-6-13(2)16(15)17(21)19-10-18(3,11-20)22-4/h5-9,20H,10-11H2,1-4H3,(H,19,21)
InChIKeyGZDHOSQQJKICEH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds5

About N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide

N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide (PubChem CID 138023940) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide
PubChem CID138023940
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide
SMILESCOC(C)(CO)CNC(=O)c1c(C)ccc2cc(C)ccc12
InChIInChI=1S/C18H23NO3/c1-12-5-8-15-14(9-12)7-6-13(2)16(15)17(21)19-10-18(3,11-20)22-4/h5-9,20H,10-11H2,1-4H3,(H,19,21)
InChIKeyGZDHOSQQJKICEH-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429282
2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide
CID 166270067
2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
CID 125472731
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 126835383
methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
CID 54155467
2-[(2-hydroxy-2-methylbutyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429129
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135171
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide (CID 138023940) is N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide is COC(C)(CO)CNC(=O)c1c(C)ccc2cc(C)ccc12.
What is the InChIKey of N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide?
The InChIKey is GZDHOSQQJKICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-5-8-15-14(9-12)7-6-13(2)16(15)17(21)19-10-18(3,11-20)22-4/h5-9,20H,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide?
N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methoxy-2-methylpropyl)-2,6-dimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 138023940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).