N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C14H25N3O — CID 114208054

IUPACN-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC(CN)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-10(2)17-8-6-7-11(17)13(18)16-12(9-15)14(3,4)5/h6-8,10,12H,9,15H2,1-5H3,(H,16,18)
InChIKeyRJJRCMZTCRPLIG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.17
Rot. Bonds4

About N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 114208054) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID114208054
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC(CN)C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-10(2)17-8-6-7-11(17)13(18)16-12(9-15)14(3,4)5/h6-8,10,12H,9,15H2,1-5H3,(H,16,18)
InChIKeyRJJRCMZTCRPLIG-UHFFFAOYSA-N
XLogP2.17
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 114208054) is N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NC(CN)C(C)(C)C.
What is the InChIKey of N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is RJJRCMZTCRPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)17-8-6-7-11(17)13(18)16-12(9-15)14(3,4)5/h6-8,10,12H,9,15H2,1-5H3,(H,16,18).
What are the key properties of N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 114208054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).