N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide

C17H21NO3 — CID 78779679

IUPACN-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)CCc2ccco2)cc1
InChIInChI=1S/C17H21NO3/c1-3-20-16-8-6-14(7-9-16)13-18(2)17(19)11-10-15-5-4-12-21-15/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeySLYVBSDBPDZILH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.27
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide

N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 78779679) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
PubChem CID78779679
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)CCc2ccco2)cc1
InChIInChI=1S/C17H21NO3/c1-3-20-16-8-6-14(7-9-16)13-18(2)17(19)11-10-15-5-4-12-21-15/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeySLYVBSDBPDZILH-UHFFFAOYSA-N
XLogP3.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111275303
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 134037132
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide (CID 78779679) is N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide is CCOc1ccc(CN(C)C(=O)CCc2ccco2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is SLYVBSDBPDZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-20-16-8-6-14(7-9-16)13-18(2)17(19)11-10-15-5-4-12-21-15/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide?
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 78779679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).