1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide

C14H23N3O2 — CID 114610660

IUPAC1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
SMILESCC(O)CNCCNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H23N3O2/c1-11(18)10-15-7-8-16-14(19)13-6-3-9-17(13)12-4-2-5-12/h3,6,9,11-12,15,18H,2,4-5,7-8,10H2,1H3,(H,16,19)
InChIKeyUIKRDFVZPAPJFY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.91
Rot. Bonds7

About 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide (PubChem CID 114610660) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
PubChem CID114610660
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
SMILESCC(O)CNCCNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H23N3O2/c1-11(18)10-15-7-8-16-14(19)13-6-3-9-17(13)12-4-2-5-12/h3,6,9,11-12,15,18H,2,4-5,7-8,10H2,1H3,(H,16,19)
InChIKeyUIKRDFVZPAPJFY-UHFFFAOYSA-N
XLogP0.91
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 104593851
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 110007652

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide (CID 114610660) is 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide is CC(O)CNCCNC(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide?
The InChIKey is UIKRDFVZPAPJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(18)10-15-7-8-16-14(19)13-6-3-9-17(13)12-4-2-5-12/h3,6,9,11-12,15,18H,2,4-5,7-8,10H2,1H3,(H,16,19).
What are the key properties of 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114610660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).