3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide

C16H18N2O3 — CID 131924655

IUPAC3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)CCc1ccccc1NC(=O)c1occc1C
InChIInChI=1S/C16H18N2O3/c1-11-9-10-21-15(11)16(20)18-13-6-4-3-5-12(13)7-8-14(19)17-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVISQCZNOWLEGNB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.52
Rot. Bonds5

About 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide

3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide (PubChem CID 131924655) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide
PubChem CID131924655
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)CCc1ccccc1NC(=O)c1occc1C
InChIInChI=1S/C16H18N2O3/c1-11-9-10-21-15(11)16(20)18-13-6-4-3-5-12(13)7-8-14(19)17-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVISQCZNOWLEGNB-UHFFFAOYSA-N
XLogP2.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-3-methylfuran-2-carboxamide
CID 51240617
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 131911038
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131908970
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
CID 131924875
2,7-dimethyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 131942924
N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 131922657
3-methyl-N-quinolin-8-ylfuran-2-carboxamide
CID 17461248
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131922083
(2S)-2-amino-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 154912746
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide (CID 131924655) is 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide is CNC(=O)CCc1ccccc1NC(=O)c1occc1C.
What is the InChIKey of 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide?
The InChIKey is VISQCZNOWLEGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-9-10-21-15(11)16(20)18-13-6-4-3-5-12(13)7-8-14(19)17-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide?
3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 131924655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).