N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide

C13H18N2O2 — CID 58032857

IUPACN-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1CCNC1)NCc1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c16-12-3-1-2-10(6-12)9-15-13(17)7-11-4-5-14-8-11/h1-3,6,11,14,16H,4-5,7-9H2,(H,15,17)/t11-/m0/s1
InChIKeyPTBMLWRATBLUBX-NSHDSACASA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide

N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 58032857) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID58032857
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1CCNC1)NCc1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c16-12-3-1-2-10(6-12)9-15-13(17)7-11-4-5-14-8-11/h1-3,6,11,14,16H,4-5,7-9H2,(H,15,17)/t11-/m0/s1
InChIKeyPTBMLWRATBLUBX-NSHDSACASA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
N-[(3-methoxyphenyl)methyl]-2-piperidin-3-ylacetamide
CID 62691062
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235385
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide (CID 58032857) is N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide is O=C(C[C@@H]1CCNC1)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is PTBMLWRATBLUBX-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-3-1-2-10(6-12)9-15-13(17)7-11-4-5-14-8-11/h1-3,6,11,14,16H,4-5,7-9H2,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58032857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).