N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide

C19H25NO2 — CID 18198408

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
SMILESCC(NC(=O)CCC1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C19H25NO2/c1-14(18-13-16-9-5-6-10-17(16)22-18)20-19(21)12-11-15-7-3-2-4-8-15/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyYUEUWSJJKXEFMP-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.97
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide (PubChem CID 18198408) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
PubChem CID18198408
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
SMILESCC(NC(=O)CCC1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C19H25NO2/c1-14(18-13-16-9-5-6-10-17(16)22-18)20-19(21)12-11-15-7-3-2-4-8-15/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyYUEUWSJJKXEFMP-UHFFFAOYSA-N
XLogP4.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178
2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8680030
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 119691713
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide (CID 18198408) is N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide is CC(NC(=O)CCC1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide?
The InChIKey is YUEUWSJJKXEFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(18-13-16-9-5-6-10-17(16)22-18)20-19(21)12-11-15-7-3-2-4-8-15/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide has a molecular weight of 299.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 18198408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).