N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C23H32N2O2 — CID 55854264

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCCN(CC)Cc1cccc(CNC(=O)CCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C23H32N2O2/c1-4-25(5-2)16-19-8-6-7-18(14-19)15-24-23(26)12-10-20-9-11-22(27-20)21-13-17(21)3/h6-9,11,14,17,21H,4-5,10,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyDIJHTYMOQQQYLS-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.49
Rot. Bonds10

About N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 55854264) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID55854264
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCCN(CC)Cc1cccc(CNC(=O)CCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C23H32N2O2/c1-4-25(5-2)16-19-8-6-7-18(14-19)15-24-23(26)12-10-20-9-11-22(27-20)21-13-17(21)3/h6-9,11,14,17,21H,4-5,10,12-13,15-16H2,1-3H3,(H,24,26)
InChIKeyDIJHTYMOQQQYLS-UHFFFAOYSA-N
XLogP4.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
CID 94021194
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014209
N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94017148
N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103713210
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 55769274
N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545187
N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103862369
N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 115771031

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 55854264) is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CCN(CC)Cc1cccc(CNC(=O)CCc2ccc(C3CC3C)o2)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is DIJHTYMOQQQYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-25(5-2)16-19-8-6-7-18(14-19)15-24-23(26)12-10-20-9-11-22(27-20)21-13-17(21)3/h6-9,11,14,17,21H,4-5,10,12-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 368.52 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 55854264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).