N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide

C14H20N2O2 — CID 71987055

IUPACN-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCOCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-18-10-11-5-7-12(8-6-11)16-14(17)13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyGCPVXUJVPXQWDG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds5

About N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide

N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 71987055) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID71987055
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCOCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-18-10-11-5-7-12(8-6-11)16-14(17)13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyGCPVXUJVPXQWDG-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide (CID 71987055) is N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide is CCOCc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GCPVXUJVPXQWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-10-11-5-7-12(8-6-11)16-14(17)13-4-3-9-15-13/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71987055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).