4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride

C17H30ClN3O2 — CID 119655121

IUPAC4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)N(C)CC(C)(C)CN)[nH]c(C)c1C(C)=O.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-7-8-13-14(12(3)21)11(2)19-15(13)16(22)20(6)10-17(4,5)9-18;/h19H,7-10,18H2,1-6H3;1H
InChIKeyRDEVMAWCWFRBHN-UHFFFAOYSA-N
MW343.90 g/mol
LogP2.96
Rot. Bonds7

About 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride

4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119655121) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119655121
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)N(C)CC(C)(C)CN)[nH]c(C)c1C(C)=O.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-7-8-13-14(12(3)21)11(2)19-15(13)16(22)20(6)10-17(4,5)9-18;/h19H,7-10,18H2,1-6H3;1H
InChIKeyRDEVMAWCWFRBHN-UHFFFAOYSA-N
XLogP2.96
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 119655121) is 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride is CCCc1c(C(=O)N(C)CC(C)(C)CN)[nH]c(C)c1C(C)=O.Cl.
What is the InChIKey of 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is RDEVMAWCWFRBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c1-7-8-13-14(12(3)21)11(2)19-15(13)16(22)20(6)10-17(4,5)9-18;/h19H,7-10,18H2,1-6H3;1H.
What are the key properties of 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119655121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).