N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide

C16H17NO2 — CID 47012609

IUPACN-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
SMILESCC(NC(=O)c1occc1-c1ccccc1)C1CC1
InChIInChI=1S/C16H17NO2/c1-11(12-7-8-12)17-16(18)15-14(9-10-19-15)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3,(H,17,18)
InChIKeyXOJKJEWQZWLXOT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.47
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide

N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide (PubChem CID 47012609) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
PubChem CID47012609
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
SMILESCC(NC(=O)c1occc1-c1ccccc1)C1CC1
InChIInChI=1S/C16H17NO2/c1-11(12-7-8-12)17-16(18)15-14(9-10-19-15)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3,(H,17,18)
InChIKeyXOJKJEWQZWLXOT-UHFFFAOYSA-N
XLogP3.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-phenylfuran-2-carboxamide
CID 94798688
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
CID 47091747
N-cyclohexyl-3-phenylfuran-2-carboxamide
CID 46521947
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide
CID 142280088
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
N-cyano-3-phenylfuran-2-carboxamide
CID 79194382
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide (CID 47012609) is N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide is CC(NC(=O)c1occc1-c1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide?
The InChIKey is XOJKJEWQZWLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(12-7-8-12)17-16(18)15-14(9-10-19-15)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3,(H,17,18).
What are the key properties of N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide?
N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 47012609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).