N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C14H20N2O2 — CID 64682431

IUPACN-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C14H20N2O2/c1-2-10-5-3-4-6-11(10)8-16-14(18)13-7-12(17)9-15-13/h3-6,12-13,15,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyKPMWFSYDSZSKRN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.59
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 64682431) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID64682431
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C14H20N2O2/c1-2-10-5-3-4-6-11(10)8-16-14(18)13-7-12(17)9-15-13/h3-6,12-13,15,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyKPMWFSYDSZSKRN-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 64682431) is N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is CCc1ccccc1CNC(=O)C1CC(O)CN1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KPMWFSYDSZSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-5-3-4-6-11(10)8-16-14(18)13-7-12(17)9-15-13/h3-6,12-13,15,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 64682431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).