N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C19H24N2O4 — CID 78771444

IUPACN-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)C(NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C19H24N2O4/c1-12(2)17(21-18(22)16-10-7-11-25-16)19(23)20-13(3)14-8-5-6-9-15(14)24-4/h5-13,17H,1-4H3,(H,20,23)(H,21,22)
InChIKeyGTJTVFGLJGRIDQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.92
Rot. Bonds7

About N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 78771444) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID78771444
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)C(NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C19H24N2O4/c1-12(2)17(21-18(22)16-10-7-11-25-16)19(23)20-13(3)14-8-5-6-9-15(14)24-4/h5-13,17H,1-4H3,(H,20,23)(H,21,22)
InChIKeyGTJTVFGLJGRIDQ-UHFFFAOYSA-N
XLogP2.92
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[(2S)-1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9278474
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55371879
N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9160701
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 78771444) is N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is COc1ccccc1C(C)NC(=O)C(NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is GTJTVFGLJGRIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)17(21-18(22)16-10-7-11-25-16)19(23)20-13(3)14-8-5-6-9-15(14)24-4/h5-13,17H,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).