N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

C17H30ClN3O — CID 119522503

IUPACN-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC(C)(C)CN)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C17H29N3O.ClH/c1-12-10-15(16(21)19-17(3,4)11-18)13(2)20(12)14-8-6-5-7-9-14;/h10,14H,5-9,11,18H2,1-4H3,(H,19,21);1H
InChIKeyFVULYAJJZVMRJT-UHFFFAOYSA-N
MW327.90 g/mol
LogP3.50
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119522503) has the molecular formula C17H30ClN3O and a molecular weight of 327.90 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
PubChem CID119522503
Molecular FormulaC17H30ClN3O
Molecular Weight327.90 g/mol
Exact Mass327.21
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC(C)(C)CN)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C17H29N3O.ClH/c1-12-10-15(16(21)19-17(3,4)11-18)13(2)20(12)14-8-6-5-7-9-14;/h10,14H,5-9,11,18H2,1-4H3,(H,19,21);1H
InChIKeyFVULYAJJZVMRJT-UHFFFAOYSA-N
XLogP3.50
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (CID 119522503) is N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC(C)(C)CN)c(C)n1C1CCCCC1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is FVULYAJJZVMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.ClH/c1-12-10-15(16(21)19-17(3,4)11-18)13(2)20(12)14-8-6-5-7-9-14;/h10,14H,5-9,11,18H2,1-4H3,(H,19,21);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119522503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).