N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide

C13H18N2O2 — CID 114332153

IUPACN-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c1-9-12(6-7-14-9)13(17)15-8-10-2-4-11(16)5-3-10/h2-5,9,12,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyWETOOYBQHFIUAI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 114332153) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID114332153
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c1-9-12(6-7-14-9)13(17)15-8-10-2-4-11(16)5-3-10/h2-5,9,12,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyWETOOYBQHFIUAI-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79383907
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 79384606
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
CID 113264520
3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339958
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide (CID 114332153) is N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is WETOOYBQHFIUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-12(6-7-14-9)13(17)15-8-10-2-4-11(16)5-3-10/h2-5,9,12,14,16H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114332153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).