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

C17H17NO3 — CID 51206809

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
SMILESCC(NC(=O)CCc1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C17H17NO3/c1-12(16-11-13-5-2-3-7-15(13)21-16)18-17(19)9-8-14-6-4-10-20-14/h2-7,10-12H,8-9H2,1H3,(H,18,19)
InChIKeyIBLVXOZWIOZVPI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.84
Rot. Bonds5

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

N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide (PubChem CID 51206809) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
PubChem CID51206809
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
SMILESCC(NC(=O)CCc1ccco1)c1cc2ccccc2o1
InChIInChI=1S/C17H17NO3/c1-12(16-11-13-5-2-3-7-15(13)21-16)18-17(19)9-8-14-6-4-10-20-14/h2-7,10-12H,8-9H2,1H3,(H,18,19)
InChIKeyIBLVXOZWIOZVPI-UHFFFAOYSA-N
XLogP3.84
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 111378127
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25470256
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide (CID 51206809) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide is CC(NC(=O)CCc1ccco1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide?
The InChIKey is IBLVXOZWIOZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(16-11-13-5-2-3-7-15(13)21-16)18-17(19)9-8-14-6-4-10-20-14/h2-7,10-12H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 51206809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).