N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide

C23H23N3O4 — CID 55820877

IUPACN-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C23H23N3O4/c1-15-7-4-10-19(16(15)2)25-21(27)14-26(3)23(29)17-8-5-9-18(13-17)24-22(28)20-11-6-12-30-20/h4-13H,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyKICMKUPBHLNMIO-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.86
Rot. Bonds6

About N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55820877) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55820877
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C23H23N3O4/c1-15-7-4-10-19(16(15)2)25-21(27)14-26(3)23(29)17-8-5-9-18(13-17)24-22(28)20-11-6-12-30-20/h4-13H,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyKICMKUPBHLNMIO-UHFFFAOYSA-N
XLogP3.86
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 9437515
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55874564
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55820877) is N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)c3ccco3)c2)c1C.
What is the InChIKey of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KICMKUPBHLNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15-7-4-10-19(16(15)2)25-21(27)14-26(3)23(29)17-8-5-9-18(13-17)24-22(28)20-11-6-12-30-20/h4-13H,14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55820877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).