N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H18N2O2 — CID 54903835

IUPACN-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C15H18N2O2/c1-11(2)17-8-4-7-14(17)15(19)16-10-12-5-3-6-13(18)9-12/h3-9,11,18H,10H2,1-2H3,(H,16,19)
InChIKeyCNNDLXYYHJNHIV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.70
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 54903835) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID54903835
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C15H18N2O2/c1-11(2)17-8-4-7-14(17)15(19)16-10-12-5-3-6-13(18)9-12/h3-9,11,18H,10H2,1-2H3,(H,16,19)
InChIKeyCNNDLXYYHJNHIV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61414231
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 54903799
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 146084416
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
CID 63821825

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 54903835) is N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is CNNDLXYYHJNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)17-8-4-7-14(17)15(19)16-10-12-5-3-6-13(18)9-12/h3-9,11,18H,10H2,1-2H3,(H,16,19).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 54903835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).