N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide

C17H23NO3 — CID 111520105

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H23NO3/c1-12(19)9-17(2,3)11-18-16(20)14-8-13-6-4-5-7-15(13)21-10-14/h4-8,12,19H,9-11H2,1-3H3,(H,18,20)
InChIKeyLCKAQINXYXOOFL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide (PubChem CID 111520105) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
PubChem CID111520105
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H23NO3/c1-12(19)9-17(2,3)11-18-16(20)14-8-13-6-4-5-7-15(13)21-10-14/h4-8,12,19H,9-11H2,1-3H3,(H,18,20)
InChIKeyLCKAQINXYXOOFL-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
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N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 16029378
(E)-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 145972245
N-(6-aminohexyl)-4-hydroxy-2-oxo-chromene-3-carboxamide
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US11045457, Example 76
CID 146402408

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide (CID 111520105) is N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide is CC(O)CC(C)(C)CNC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide?
The InChIKey is LCKAQINXYXOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(19)9-17(2,3)11-18-16(20)14-8-13-6-4-5-7-15(13)21-10-14/h4-8,12,19H,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 111520105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).