N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide

C16H22N2O2 — CID 60717507

IUPACN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)C2CCCN2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-11-20-14-8-6-13(7-9-14)12-18(2)16(19)15-5-4-10-17-15/h3,6-9,15,17H,1,4-5,10-12H2,2H3
InChIKeyXHDFNLHVMRLYJM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide

N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 60717507) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID60717507
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)C2CCCN2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-11-20-14-8-6-13(7-9-14)12-18(2)16(19)15-5-4-10-17-15/h3,6-9,15,17H,1,4-5,10-12H2,2H3
InChIKeyXHDFNLHVMRLYJM-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 103793972
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75371472
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 60717507) is N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)C2CCCN2)cc1.
What is the InChIKey of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XHDFNLHVMRLYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-20-14-8-6-13(7-9-14)12-18(2)16(19)15-5-4-10-17-15/h3,6-9,15,17H,1,4-5,10-12H2,2H3.
What are the key properties of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60717507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).