3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C18H23NO2 — CID 78794973

IUPAC3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCCc1ccc(CCC(=O)N(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C18H23NO2/c1-4-15-6-8-16(9-7-15)10-12-18(20)19(3)13-17-11-5-14(2)21-17/h5-9,11H,4,10,12-13H2,1-3H3
InChIKeyPCUUGTIBDPHHPS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.74
Rot. Bonds6

About 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 78794973) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID78794973
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCCc1ccc(CCC(=O)N(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C18H23NO2/c1-4-15-6-8-16(9-7-15)10-12-18(20)19(3)13-17-11-5-14(2)21-17/h5-9,11H,4,10,12-13H2,1-3H3
InChIKeyPCUUGTIBDPHHPS-UHFFFAOYSA-N
XLogP3.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 8852022
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093438
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115171782
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 78794973) is 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is CCc1ccc(CCC(=O)N(C)Cc2ccc(C)o2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is PCUUGTIBDPHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-15-6-8-16(9-7-15)10-12-18(20)19(3)13-17-11-5-14(2)21-17/h5-9,11H,4,10,12-13H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 78794973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).