4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide

C13H23N3O2 — CID 106006234

IUPAC4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C13H23N3O2/c1-10(2)18-7-5-4-6-15-13(17)12-8-11(14)9-16(12)3/h8-10H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyIRCXUQQDLIIPMY-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.54
Rot. Bonds7

About 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide (PubChem CID 106006234) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
PubChem CID106006234
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C13H23N3O2/c1-10(2)18-7-5-4-6-15-13(17)12-8-11(14)9-16(12)3/h8-10H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyIRCXUQQDLIIPMY-UHFFFAOYSA-N
XLogP1.54
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-bromo-N-(4-propan-2-yloxybutyl)-1-propylpyrrole-2-carboxamide
CID 106012274
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 70121205
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide (CID 106006234) is 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide is CC(C)OCCCCNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide?
The InChIKey is IRCXUQQDLIIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)18-7-5-4-6-15-13(17)12-8-11(14)9-16(12)3/h8-10H,4-7,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106006234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).