N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

C14H16N2O2 — CID 60682006

IUPACN-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc[nH]1)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c17-10-9-16(11-12-5-2-1-3-6-12)14(18)13-7-4-8-15-13/h1-8,15,17H,9-11H2
InChIKeyGDEXQPSHOHAXCW-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.65
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 60682006) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID60682006
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc[nH]1)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c17-10-9-16(11-12-5-2-1-3-6-12)14(18)13-7-4-8-15-13/h1-8,15,17H,9-11H2
InChIKeyGDEXQPSHOHAXCW-UHFFFAOYSA-N
XLogP1.65
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653937
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
2-[propyl(1H-pyrrole-2-carbonyl)amino]acetic acid
CID 61011951
N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
CID 107261621

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (CID 60682006) is N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is O=C(c1ccc[nH]1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GDEXQPSHOHAXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-10-9-16(11-12-5-2-1-3-6-12)14(18)13-7-4-8-15-13/h1-8,15,17H,9-11H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60682006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).