N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide

C14H20N2O2 — CID 104954757

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-13-3-1-2-11(6-13)9-16-14(18)7-12-4-5-15-8-12/h1-3,6,12,15,17H,4-5,7-10H2,(H,16,18)
InChIKeyDDLPPOQCKWETPS-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.79
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide

N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 104954757) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
PubChem CID104954757
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-13-3-1-2-11(6-13)9-16-14(18)7-12-4-5-15-8-12/h1-3,6,12,15,17H,4-5,7-10H2,(H,16,18)
InChIKeyDDLPPOQCKWETPS-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
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-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide (CID 104954757) is N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is DDLPPOQCKWETPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-13-3-1-2-11(6-13)9-16-14(18)7-12-4-5-15-8-12/h1-3,6,12,15,17H,4-5,7-10H2,(H,16,18).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 248.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 104954757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).