N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide

C15H18N2O2 — CID 114332469

IUPACN-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCc1ccccc1O
InChIInChI=1S/C15H18N2O2/c1-2-9-17-10-5-7-13(17)15(19)16-11-12-6-3-4-8-14(12)18/h3-8,10,18H,2,9,11H2,1H3,(H,16,19)
InChIKeyNIOSTFHOZMLOFY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.53
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide

N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 114332469) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID114332469
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCc1ccccc1O
InChIInChI=1S/C15H18N2O2/c1-2-9-17-10-5-7-13(17)15(19)16-11-12-6-3-4-8-14(12)18/h3-8,10,18H,2,9,11H2,1H3,(H,16,19)
InChIKeyNIOSTFHOZMLOFY-UHFFFAOYSA-N
XLogP2.53
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
CID 113294516
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
CID 43639095
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 65119021
4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 64694880
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 104593851
2-[2-[(1-propylpyrrole-2-carbonyl)amino]ethoxy]acetic acid
CID 79456778
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 114332469) is N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is NIOSTFHOZMLOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-9-17-10-5-7-13(17)15(19)16-11-12-6-3-4-8-14(12)18/h3-8,10,18H,2,9,11H2,1H3,(H,16,19).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide?
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 114332469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).