1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide

C13H23N3O — CID 55100628

IUPAC1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
SMILESCCCNCCNC(=O)c1cccn1C(C)C
InChIInChI=1S/C13H23N3O/c1-4-7-14-8-9-15-13(17)12-6-5-10-16(12)11(2)3/h5-6,10-11,14H,4,7-9H2,1-3H3,(H,15,17)
InChIKeyFLOFDWSHFMODKS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds7

About 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide

1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide (PubChem CID 55100628) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
PubChem CID55100628
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
SMILESCCCNCCNC(=O)c1cccn1C(C)C
InChIInChI=1S/C13H23N3O/c1-4-7-14-8-9-15-13(17)12-6-5-10-16(12)11(2)3/h5-6,10-11,14H,4,7-9H2,1-3H3,(H,15,17)
InChIKeyFLOFDWSHFMODKS-UHFFFAOYSA-N
XLogP1.80
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.80
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

N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 104593851
N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61414231
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64555639

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide (CID 55100628) is 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide is CCCNCCNC(=O)c1cccn1C(C)C.
What is the InChIKey of 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide?
The InChIKey is FLOFDWSHFMODKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-8-9-15-13(17)12-6-5-10-16(12)11(2)3/h5-6,10-11,14H,4,7-9H2,1-3H3,(H,15,17).
What are the key properties of 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide?
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55100628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).