N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide

C23H24N2O4 — CID 60542221

IUPACN-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Nc2cccc(COCc3ccco3)c2)c1
InChIInChI=1S/C23H24N2O4/c1-16(23(27)25-21-9-4-7-19(13-21)17(2)26)24-20-8-3-6-18(12-20)14-28-15-22-10-5-11-29-22/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyUDHVNVINEGOBHD-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.64
Rot. Bonds9

About N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide

N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide (PubChem CID 60542221) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
PubChem CID60542221
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Nc2cccc(COCc3ccco3)c2)c1
InChIInChI=1S/C23H24N2O4/c1-16(23(27)25-21-9-4-7-19(13-21)17(2)26)24-20-8-3-6-18(12-20)14-28-15-22-10-5-11-29-22/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyUDHVNVINEGOBHD-UHFFFAOYSA-N
XLogP4.64
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 94643107
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55806853
2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 55933822
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide (CID 60542221) is N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide is CC(=O)c1cccc(NC(=O)C(C)Nc2cccc(COCc3ccco3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
The InChIKey is UDHVNVINEGOBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(23(27)25-21-9-4-7-19(13-21)17(2)26)24-20-8-3-6-18(12-20)14-28-15-22-10-5-11-29-22/h3-13,16,24H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide?
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide has a molecular weight of 392.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide is sourced from PubChem (CID 60542221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).