1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide

C12H20N2O3 — CID 114211275

IUPAC1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC(CO)CCOC
InChIInChI=1S/C12H20N2O3/c1-3-14-7-4-5-11(14)12(16)13-10(9-15)6-8-17-2/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,13,16)
InChIKeyDUBUJQJAFKXAGY-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.64
Rot. Bonds7

About 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide

1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide (PubChem CID 114211275) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
PubChem CID114211275
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC(CO)CCOC
InChIInChI=1S/C12H20N2O3/c1-3-14-7-4-5-11(14)12(16)13-10(9-15)6-8-17-2/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,13,16)
InChIKeyDUBUJQJAFKXAGY-UHFFFAOYSA-N
XLogP0.64
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 103799438
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609506
1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
CID 106227866
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 107863497
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
(2S,3R)-2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964424
2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol
CID 106187879
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
CID 61143350
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide (CID 114211275) is 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide is CCn1cccc1C(=O)NC(CO)CCOC.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is DUBUJQJAFKXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-14-7-4-5-11(14)12(16)13-10(9-15)6-8-17-2/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,13,16).
What are the key properties of 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide?
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).