N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C20H25N3O4 — CID 47932061

IUPACN-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(C)oc2C)c1C
InChIInChI=1S/C20H25N3O4/c1-5-7-18(24)22-16-8-6-9-17(13(16)3)23-19(25)11-21-20(26)15-10-12(2)27-14(15)4/h6,8-10H,5,7,11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyVUUMNXPECBRFTL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.31
Rot. Bonds7

About N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 47932061) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID47932061
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(C)oc2C)c1C
InChIInChI=1S/C20H25N3O4/c1-5-7-18(24)22-16-8-6-9-17(13(16)3)23-19(25)11-21-20(26)15-10-12(2)27-14(15)4/h6,8-10H,5,7,11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyVUUMNXPECBRFTL-UHFFFAOYSA-N
XLogP3.31
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 27859031
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
CID 94796277
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 47932061) is N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(C)oc2C)c1C.
What is the InChIKey of N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VUUMNXPECBRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-7-18(24)22-16-8-6-9-17(13(16)3)23-19(25)11-21-20(26)15-10-12(2)27-14(15)4/h6,8-10H,5,7,11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 47932061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).