5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide

C14H22N2O2 — CID 91785080

IUPAC5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC)C2CC(O)C2)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-10-5-6-13(15-10)14(18)16-12(4-2)9-7-11(17)8-9/h5-6,9,11-12,15,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyIAUFJYBHXPTQNV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds5

About 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide

5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 91785080) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID91785080
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC)C2CC(O)C2)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-10-5-6-13(15-10)14(18)16-12(4-2)9-7-11(17)8-9/h5-6,9,11-12,15,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyIAUFJYBHXPTQNV-UHFFFAOYSA-N
XLogP1.86
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23634442
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-[(5-methyl-1H-pyrrol-2-yl)formamido]butanamide
CID 25093411
N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 169082722
N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide
CID 169082725
(4S*)-1-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3,3,4-trimethylpiperidin-4-ol
CID 70723659
(3R*,4S*)-1-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3,4-dimethylpiperidin-4-ol
CID 70734422
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75433983
(4S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2,16-dioxo-3,20-diazabicyclo[15.2.1]icosa-1(19),17-diene-4-carboxamide
CID 75204467
(4S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2,16-dioxo-3,20-diazabicyclo[15.2.1]icosa-1(19),17-diene-4-carboxamide
CID 90157135
N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide
CID 56793426
(1R*,3S*)-7-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70708245
N-[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 75393439

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide (CID 91785080) is 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC(CC)C2CC(O)C2)[nH]1.
What is the InChIKey of 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IAUFJYBHXPTQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10-5-6-13(15-10)14(18)16-12(4-2)9-7-11(17)8-9/h5-6,9,11-12,15,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide?
5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(3-hydroxycyclobutyl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91785080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).