N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide

C22H32N4O2 — CID 157013969

IUPACN-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide
SMILESCc1ccc(C)c(OCCN(C)C[C@@H]2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)c1
InChIInChI=1S/C22H32N4O2/c1-16-7-8-17(2)20(13-16)28-12-11-26(3)15-18-5-4-6-19(14-18)25-22(27)21-23-9-10-24-21/h7-10,13,18-19H,4-6,11-12,14-15H2,1-3H3,(H,23,24)(H,25,27)/t18-,19-/m1/s1
InChIKeySPEWXECZDNFOCA-RTBURBONSA-N
MW384.52 g/mol
LogP3.33
Rot. Bonds8

About N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide

N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide (PubChem CID 157013969) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide
PubChem CID157013969
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide
SMILESCc1ccc(C)c(OCCN(C)C[C@@H]2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)c1
InChIInChI=1S/C22H32N4O2/c1-16-7-8-17(2)20(13-16)28-12-11-26(3)15-18-5-4-6-19(14-18)25-22(27)21-23-9-10-24-21/h7-10,13,18-19H,4-6,11-12,14-15H2,1-3H3,(H,23,24)(H,25,27)/t18-,19-/m1/s1
InChIKeySPEWXECZDNFOCA-RTBURBONSA-N
XLogP3.33
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

1-[3-(2,5-dimethylphenoxy)propyl]-1-methyl-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 125441547
N-[(1S,3R)-3-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 162626830
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
3-[2-(2,5-dimethylphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63043519
N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
CID 47723201
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 78786673
2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 122083076
2-[2-(2,5-dimethylphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915450
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide (CID 157013969) is N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide is Cc1ccc(C)c(OCCN(C)C[C@@H]2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)c1.
What is the InChIKey of N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide?
The InChIKey is SPEWXECZDNFOCA-RTBURBONSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-7-8-17(2)20(13-16)28-12-11-26(3)15-18-5-4-6-19(14-18)25-22(27)21-23-9-10-24-21/h7-10,13,18-19H,4-6,11-12,14-15H2,1-3H3,(H,23,24)(H,25,27)/t18-,19-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide?
N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]cyclohexyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 157013969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).