3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide

C20H27N3O3 — CID 113118135

IUPAC3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(Cc2ccco2)C(C)=O)cc1
InChIInChI=1S/C20H27N3O3/c1-4-22(5-2)18-10-8-17(9-11-18)21-20(25)12-13-23(16(3)24)15-19-7-6-14-26-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,21,25)
InChIKeyUFUTWDCEEIQNFO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.50
Rot. Bonds9

About 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide

3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 113118135) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
PubChem CID113118135
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(Cc2ccco2)C(C)=O)cc1
InChIInChI=1S/C20H27N3O3/c1-4-22(5-2)18-10-8-17(9-11-18)21-20(25)12-13-23(16(3)24)15-19-7-6-14-26-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,21,25)
InChIKeyUFUTWDCEEIQNFO-UHFFFAOYSA-N
XLogP3.50
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113118157
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
2-[bis(furan-2-ylmethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 27118860
3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113118133
methyl 3-[3-[acetyl(furan-2-ylmethyl)amino]propanoylamino]-4-chlorobenzoate
CID 113118132
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide (CID 113118135) is 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(Cc2ccco2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is UFUTWDCEEIQNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-22(5-2)18-10-8-17(9-11-18)21-20(25)12-13-23(16(3)24)15-19-7-6-14-26-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,21,25).
What are the key properties of 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 113118135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).