5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide

C17H26N2O3 — CID 133265741

IUPAC5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)[nH]1
InChIInChI=1S/C17H26N2O3/c1-2-13-3-4-16(18-13)17(20)19-15-7-10-22-11-14(15)12-5-8-21-9-6-12/h3-4,12,14-15,18H,2,5-11H2,1H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyRIDIASIPSZQZNJ-HUUCEWRRSA-N
MW306.41 g/mol
LogP2.14
Rot. Bonds4

About 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide

5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 133265741) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID133265741
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)[nH]1
InChIInChI=1S/C17H26N2O3/c1-2-13-3-4-16(18-13)17(20)19-15-7-10-22-11-14(15)12-5-8-21-9-6-12/h3-4,12,14-15,18H,2,5-11H2,1H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyRIDIASIPSZQZNJ-HUUCEWRRSA-N
XLogP2.14
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
CID 133266154
2-butoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91774099
1-ethyl-3,5-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazole-4-carboxamide
CID 91797549
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 133265512
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 91798169
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 133265575
2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 133267554
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
CID 91795988
2-(2-chlorophenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 133265749
2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
CID 91776897
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2-pyridin-3-ylacetamide
CID 133267139

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide (CID 133265741) is 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)[nH]1.
What is the InChIKey of 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is RIDIASIPSZQZNJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-13-3-4-16(18-13)17(20)19-15-7-10-22-11-14(15)12-5-8-21-9-6-12/h3-4,12,14-15,18H,2,5-11H2,1H3,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide?
5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 133265741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).