N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C13H18N2O2 — CID 38150329

IUPACN-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCCC1
InChIInChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)10-14-13(16)15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,14,16)
InChIKeyMWTXICRRCGFENN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds3

About N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 38150329) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID38150329
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCCC1
InChIInChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)10-14-13(16)15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,14,16)
InChIKeyMWTXICRRCGFENN-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108119
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
methyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113108106
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 52810254

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 38150329) is N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COc1ccccc1CNC(=O)N1CCCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is MWTXICRRCGFENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)10-14-13(16)15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,14,16).
What are the key properties of N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 38150329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).