N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide

C17H22N4O2 — CID 18118141

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)19-15(22)11-20(4)16(23)14-10-18-12-21(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,19,22)
InChIKeyCDKXDRUQJUZUJX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide (PubChem CID 18118141) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
PubChem CID18118141
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)19-15(22)11-20(4)16(23)14-10-18-12-21(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,19,22)
InChIKeyCDKXDRUQJUZUJX-UHFFFAOYSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazole-4-carboxanilide
CID 312385
9-(4-Hydroxybutyl)-N2-Phenylguanine
CID 135415618
2-anilino-9-[4-(4-methoxy-1-piperidyl)butyl]-1H-purin-6-one
CID 135430194
2-anilino-9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-1H-purin-6-one
CID 135445239
2-anilino-9-[4-(1-piperidyl)butyl]-1H-purin-6-one
CID 135476564
2-anilino-9-[4-[4-(1-piperidyl)-1-piperidyl]butyl]-1H-purin-6-one
CID 135476603
2-anilino-9-[4-(dimethylamino)butyl]-1H-purin-6-one
CID 135489188
2-anilino-9-[4-[ethyl(methyl)amino]butyl]-1H-purin-6-one
CID 135497108
2-anilino-9-[4-(diethylamino)butyl]-1H-purin-6-one
CID 135497121
2-anilino-9-[4-(diallylamino)butyl]-1H-purin-6-one
CID 135499906
2-anilino-9-[4-[2-(1-piperidylmethyl)pyrrolidin-1-yl]butyl]-1H-purin-6-one
CID 135518357
2-anilino-9-[4-[bis(2-hydroxyethyl)amino]butyl]-1H-purin-6-one
CID 135524756

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide (CID 18118141) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide?
The InChIKey is CDKXDRUQJUZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)19-15(22)11-20(4)16(23)14-10-18-12-21(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 18118141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).