N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide

C16H25NO3 — CID 94017148

IUPACN-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESCCOCCCNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C16H25NO3/c1-3-19-10-4-9-17-16(18)8-6-13-5-7-15(20-13)14-11-12(14)2/h5,7,12,14H,3-4,6,8-11H2,1-2H3,(H,17,18)/t12-,14-/m0/s1
InChIKeyXEFPERRFNPFXOA-JSGCOSHPSA-N
MW279.38 g/mol
LogP2.88
Rot. Bonds9

About N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide

N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide (PubChem CID 94017148) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
PubChem CID94017148
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESCCOCCCNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C16H25NO3/c1-3-19-10-4-9-17-16(18)8-6-13-5-7-15(20-13)14-11-12(14)2/h5,7,12,14H,3-4,6,8-11H2,1-2H3,(H,17,18)/t12-,14-/m0/s1
InChIKeyXEFPERRFNPFXOA-JSGCOSHPSA-N
XLogP2.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
CID 56812725
N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103862369
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64546432
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid
CID 43630757
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55854264
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94472198
N-cyclopropyl-N-(2-hydroxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 43576610
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 95789780

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide (CID 94017148) is N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide is CCOCCCNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?
The InChIKey is XEFPERRFNPFXOA-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-19-10-4-9-17-16(18)8-6-13-5-7-15(20-13)14-11-12(14)2/h5,7,12,14H,3-4,6,8-11H2,1-2H3,(H,17,18)/t12-,14-/m0/s1.
What are the key properties of N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide?
N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide is sourced from PubChem (CID 94017148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).