N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide

C14H20N2O2 — CID 81373014

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)C2CCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-4-3-5-13(8-11)18-2)16-14(17)12-6-7-15-9-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyQRMFHCXOPKJNFI-NUHJPDEHSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide

N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 81373014) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID81373014
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)C2CCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-4-3-5-13(8-11)18-2)16-14(17)12-6-7-15-9-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyQRMFHCXOPKJNFI-NUHJPDEHSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (CID 81373014) is N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is COc1cccc([C@H](C)NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QRMFHCXOPKJNFI-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-4-3-5-13(8-11)18-2)16-14(17)12-6-7-15-9-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)/t10-,12?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81373014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).