N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide

C17H17NO3 — CID 91954278

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2=Cc3ccccc3OC2)o1
InChIInChI=1S/C17H17NO3/c1-12-6-7-15(21-12)8-9-18-17(19)14-10-13-4-2-3-5-16(13)20-11-14/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyTXSHFRWFRUJPMA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide

N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 91954278) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide
PubChem CID91954278
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2=Cc3ccccc3OC2)o1
InChIInChI=1S/C17H17NO3/c1-12-6-7-15(21-12)8-9-18-17(19)14-10-13-4-2-3-5-16(13)20-11-14/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyTXSHFRWFRUJPMA-UHFFFAOYSA-N
XLogP2.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide
CID 22578445
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
CID 46353382
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-2H-chromene-3-carboxamide
CID 124589802
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-2H-chromene-3-carboxamide
CID 96570760
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide (CID 91954278) is N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide is Cc1ccc(CCNC(=O)C2=Cc3ccccc3OC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is TXSHFRWFRUJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-6-7-15(21-12)8-9-18-17(19)14-10-13-4-2-3-5-16(13)20-11-14/h2-7,10H,8-9,11H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide?
N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 91954278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).