N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide

C16H21N3O2 — CID 118535326

IUPACN-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide
SMILESCc1ccccc1C(C)C(CO)NC(=O)c1cn(C)cn1
InChIInChI=1S/C16H21N3O2/c1-11-6-4-5-7-13(11)12(2)15(9-20)18-16(21)14-8-19(3)10-17-14/h4-8,10,12,15,20H,9H2,1-3H3,(H,18,21)
InChIKeyRNNWJGSVUZKCNC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds5

About N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide

N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide (PubChem CID 118535326) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide
PubChem CID118535326
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide
SMILESCc1ccccc1C(C)C(CO)NC(=O)c1cn(C)cn1
InChIInChI=1S/C16H21N3O2/c1-11-6-4-5-7-13(11)12(2)15(9-20)18-16(21)14-8-19(3)10-17-14/h4-8,10,12,15,20H,9H2,1-3H3,(H,18,21)
InChIKeyRNNWJGSVUZKCNC-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 103860562
N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038
N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
N-[(2Z)-2-amino-2-hydroxyimino-1-phenylethyl]-1-methylimidazole-4-carboxamide
CID 107974192
N-(4-amino-4-sulfanylidenebutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107972197
N-[1-(4-bromophenyl)ethyl]-1-methylimidazole-4-carboxamide
CID 113340016
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107974224
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide (CID 118535326) is N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide is Cc1ccccc1C(C)C(CO)NC(=O)c1cn(C)cn1.
What is the InChIKey of N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide?
The InChIKey is RNNWJGSVUZKCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-4-5-7-13(11)12(2)15(9-20)18-16(21)14-8-19(3)10-17-14/h4-8,10,12,15,20H,9H2,1-3H3,(H,18,21).
What are the key properties of N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide?
N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(2-methylphenyl)butan-2-yl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 118535326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).