N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide

C16H20N2O2 — CID 61044229

IUPACN-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-18-11-4-5-15(18)16(20)17(2)12-13-6-8-14(19)9-7-13/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyBNQDXHNDQMHCMY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide

N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 61044229) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID61044229
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-18-11-4-5-15(18)16(20)17(2)12-13-6-8-14(19)9-7-13/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyBNQDXHNDQMHCMY-UHFFFAOYSA-N
XLogP2.88
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415884
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 64512371
N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 104553472
N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 115317425
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
4-bromo-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43641304
4-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903
1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
N-[(4-ethylphenyl)methyl]-1-(4-iodophenyl)-N-methylpyrrole-2-carboxamide
CID 166335433
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide (CID 61044229) is N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is BNQDXHNDQMHCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-18-11-4-5-15(18)16(20)17(2)12-13-6-8-14(19)9-7-13/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61044229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).