2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide

C23H25N3O3 — CID 48500676

IUPAC2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C23H25N3O3/c1-15-13-21(17(3)29-15)23(28)24-14-22(27)26-20-11-9-19(10-12-20)25-16(2)18-7-5-4-6-8-18/h4-13,16,25H,14H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyIAEJCRKJUGDAID-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.44
Rot. Bonds7

About 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide (PubChem CID 48500676) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
PubChem CID48500676
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C23H25N3O3/c1-15-13-21(17(3)29-15)23(28)24-14-22(27)26-20-11-9-19(10-12-20)25-16(2)18-7-5-4-6-8-18/h4-13,16,25H,14H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyIAEJCRKJUGDAID-UHFFFAOYSA-N
XLogP4.44
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
2-[(2-phenoxyacetyl)amino]-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987173
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
CID 55888356
2,5-dimethyl-N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55876090
N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110004082
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
CID 124505289
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide (CID 48500676) is 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide?
The InChIKey is IAEJCRKJUGDAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-13-21(17(3)29-15)23(28)24-14-22(27)26-20-11-9-19(10-12-20)25-16(2)18-7-5-4-6-8-18/h4-13,16,25H,14H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 48500676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).