3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide

C18H22N2O3 — CID 113124484

IUPAC3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22N2O3/c1-13-6-7-16(11-14(13)2)20(15(3)21)9-8-18(22)19-12-17-5-4-10-23-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22)
InChIKeyBHODRJWODDKOQZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.96
Rot. Bonds6

About 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide

3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 113124484) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID113124484
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22N2O3/c1-13-6-7-16(11-14(13)2)20(15(3)21)9-8-18(22)19-12-17-5-4-10-23-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22)
InChIKeyBHODRJWODDKOQZ-UHFFFAOYSA-N
XLogP2.96
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113132124
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113133120
3-[N-(furan-2-carbonyl)-3,4-dimethylanilino]propanoic acid
CID 82321480
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113135212
3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
CID 113124461
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide (CID 113124484) is 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccco1)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BHODRJWODDKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-6-7-16(11-14(13)2)20(15(3)21)9-8-18(22)19-12-17-5-4-10-23-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22).
What are the key properties of 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide?
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113124484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).