N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide

C21H29N3O2 — CID 78771701

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C21H29N3O2/c1-13(2)24-16(5)11-18(17(24)6)21(26)23(7)12-19(25)22-20-14(3)9-8-10-15(20)4/h8-11,13H,12H2,1-7H3,(H,22,25)
InChIKeyKWPZAXXRPWADMS-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 78771701) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID78771701
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C21H29N3O2/c1-13(2)24-16(5)11-18(17(24)6)21(26)23(7)12-19(25)22-20-14(3)9-8-10-15(20)4/h8-11,13H,12H2,1-7H3,(H,22,25)
InChIKeyKWPZAXXRPWADMS-UHFFFAOYSA-N
XLogP4.01
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium
CID 8793630
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-methylsulfanylbenzamide
CID 27788246
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 27788275
N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 55348131

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 78771701) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is KWPZAXXRPWADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-13(2)24-16(5)11-18(17(24)6)21(26)23(7)12-19(25)22-20-14(3)9-8-10-15(20)4/h8-11,13H,12H2,1-7H3,(H,22,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 78771701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).