N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H18N2O2 — CID 64794309

IUPACN-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C15H18N2O2/c1-11(2)17-9-3-4-14(17)15(19)16-13-7-5-12(10-18)6-8-13/h3-9,11,18H,10H2,1-2H3,(H,16,19)
InChIKeyAXWHRWULZJYGNZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64794309) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64794309
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C15H18N2O2/c1-11(2)17-9-3-4-14(17)15(19)16-13-7-5-12(10-18)6-8-13/h3-9,11,18H,10H2,1-2H3,(H,16,19)
InChIKeyAXWHRWULZJYGNZ-UHFFFAOYSA-N
XLogP2.81
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43639199
2-[4-[(1-propan-2-ylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017856
N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 75399474
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64555639
N-(1-amino-3,3-dimethylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114208054
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511331
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103873896

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 64794309) is N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AXWHRWULZJYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)17-9-3-4-14(17)15(19)16-13-7-5-12(10-18)6-8-13/h3-9,11,18H,10H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64794309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).