4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide

C24H23N3O4 — CID 56545372

IUPAC4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-15-4-3-5-16(2)22(15)27-21(28)14-26-24(30)18-8-12-20(13-9-18)31-19-10-6-17(7-11-19)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,30)(H,27,28)
InChIKeyRVNSJJKXEBKDPW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.56
Rot. Bonds7

About 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide

4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide (PubChem CID 56545372) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
PubChem CID56545372
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-15-4-3-5-16(2)22(15)27-21(28)14-26-24(30)18-8-12-20(13-9-18)31-19-10-6-17(7-11-19)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,30)(H,27,28)
InChIKeyRVNSJJKXEBKDPW-UHFFFAOYSA-N
XLogP3.56
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 26904071
4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
CID 56546028
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide
CID 24682012
N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 27760510
3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide
CID 167774619
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
methyl 2-[[4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]benzoyl]amino]acetate
CID 55698862

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide (CID 56545372) is 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide?
The InChIKey is RVNSJJKXEBKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-4-3-5-16(2)22(15)27-21(28)14-26-24(30)18-8-12-20(13-9-18)31-19-10-6-17(7-11-19)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,30)(H,27,28).
What are the key properties of 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide?
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).