4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide

C26H27N3O4 — CID 56546028

IUPAC4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c(C)c1
InChIInChI=1S/C26H27N3O4/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-29(4)26(32)20-7-11-22(12-8-20)33-21-9-5-19(6-10-21)25(27)31/h5-14H,15H2,1-4H3,(H2,27,31)(H,28,30)
InChIKeyZNABUVVXYPKSAJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.21
Rot. Bonds7

About 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide

4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide (PubChem CID 56546028) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
PubChem CID56546028
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c(C)c1
InChIInChI=1S/C26H27N3O4/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-29(4)26(32)20-7-11-22(12-8-20)33-21-9-5-19(6-10-21)25(27)31/h5-14H,15H2,1-4H3,(H2,27,31)(H,28,30)
InChIKeyZNABUVVXYPKSAJ-UHFFFAOYSA-N
XLogP4.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide with MolForge

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
6-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27016019
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 51192443
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide (CID 56546028) is 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c(C)c1.
What is the InChIKey of 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide?
The InChIKey is ZNABUVVXYPKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-29(4)26(32)20-7-11-22(12-8-20)33-21-9-5-19(6-10-21)25(27)31/h5-14H,15H2,1-4H3,(H2,27,31)(H,28,30).
What are the key properties of 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide?
4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56546028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).