N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide

C16H24N2O2 — CID 63143991

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccccc2O)CCNC1
InChIInChI=1S/C16H24N2O2/c1-3-8-16(9-10-17-12-16)15(20)18(2)11-13-6-4-5-7-14(13)19/h4-7,17,19H,3,8-12H2,1-2H3
InChIKeyDAJGUXZIVAGXTM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds5

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

N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63143991) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
PubChem CID63143991
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccccc2O)CCNC1
InChIInChI=1S/C16H24N2O2/c1-3-8-16(9-10-17-12-16)15(20)18(2)11-13-6-4-5-7-14(13)19/h4-7,17,19H,3,8-12H2,1-2H3
InChIKeyDAJGUXZIVAGXTM-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide (CID 63143991) is N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)Cc2ccccc2O)CCNC1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is DAJGUXZIVAGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-8-16(9-10-17-12-16)15(20)18(2)11-13-6-4-5-7-14(13)19/h4-7,17,19H,3,8-12H2,1-2H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).