N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide

C13H21N3O2 — CID 79100449

IUPACN-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nn1c(C)ccc1C
InChIInChI=1S/C13H21N3O2/c1-4-14-12-8-18-7-11(12)13(17)15-16-9(2)5-6-10(16)3/h5-6,11-12,14H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyAWSALSCAWDFQHG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds4

About N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide

N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 79100449) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID79100449
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nn1c(C)ccc1C
InChIInChI=1S/C13H21N3O2/c1-4-14-12-8-18-7-11(12)13(17)15-16-9(2)5-6-10(16)3/h5-6,11-12,14H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyAWSALSCAWDFQHG-UHFFFAOYSA-N
XLogP0.80
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-pyrrol-1-yloxolane-3-carboxamide
CID 79100760
4-(ethylamino)-N-[(2-methylphenyl)methyl]oxolane-3-carboxamide
CID 66258098
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
N-(3-bromo-2-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625139
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
N-(2-chloro-6-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66254364
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399674
N-(2,5-dimethylpyrazol-3-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258072
4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
4-(ethylamino)-N-(4-propylphenyl)oxolane-3-carboxamide
CID 66260204

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide (CID 79100449) is N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nn1c(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is AWSALSCAWDFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-14-12-8-18-7-11(12)13(17)15-16-9(2)5-6-10(16)3/h5-6,11-12,14H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide?
N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 79100449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).