N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H23NO3 — CID 103798575

IUPACN-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCCCC1CO)C1COc2ccccc2C1
InChIInChI=1S/C17H23NO3/c19-10-13-6-1-3-7-15(13)18-17(20)14-9-12-5-2-4-8-16(12)21-11-14/h2,4-5,8,13-15,19H,1,3,6-7,9-11H2,(H,18,20)
InChIKeyAYBZAQSCNDBKOX-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.90
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 103798575) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID103798575
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCCCC1CO)C1COc2ccccc2C1
InChIInChI=1S/C17H23NO3/c19-10-13-6-1-3-7-15(13)18-17(20)14-9-12-5-2-4-8-16(12)21-11-14/h2,4-5,8,13-15,19H,1,3,6-7,9-11H2,(H,18,20)
InChIKeyAYBZAQSCNDBKOX-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630644
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 79886091
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 103798575) is N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCCCC1CO)C1COc2ccccc2C1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is AYBZAQSCNDBKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-10-13-6-1-3-7-15(13)18-17(20)14-9-12-5-2-4-8-16(12)21-11-14/h2,4-5,8,13-15,19H,1,3,6-7,9-11H2,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 103798575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).