4-amino-1-methyl-N-octylpyrrole-2-carboxamide

C14H25N3O — CID 115565894

IUPAC4-amino-1-methyl-N-octylpyrrole-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C14H25N3O/c1-3-4-5-6-7-8-9-16-14(18)13-10-12(15)11-17(13)2/h10-11H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyUPPFVUGEMHWGTJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds8

About 4-amino-1-methyl-N-octylpyrrole-2-carboxamide

4-amino-1-methyl-N-octylpyrrole-2-carboxamide (PubChem CID 115565894) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-1-methyl-N-octylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-octylpyrrole-2-carboxamide
PubChem CID115565894
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-1-methyl-N-octylpyrrole-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C14H25N3O/c1-3-4-5-6-7-8-9-16-14(18)13-10-12(15)11-17(13)2/h10-11H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyUPPFVUGEMHWGTJ-UHFFFAOYSA-N
XLogP2.70
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
CID 61108331
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65103767
3,5-diamino-N-hexadecylbenzamide
CID 54469516

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-octylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-octylpyrrole-2-carboxamide (CID 115565894) is 4-amino-1-methyl-N-octylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-octylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-octylpyrrole-2-carboxamide is CCCCCCCCNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N-octylpyrrole-2-carboxamide?
The InChIKey is UPPFVUGEMHWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-4-5-6-7-8-9-16-14(18)13-10-12(15)11-17(13)2/h10-11H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-1-methyl-N-octylpyrrole-2-carboxamide?
4-amino-1-methyl-N-octylpyrrole-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-octylpyrrole-2-carboxamide is sourced from PubChem (CID 115565894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).