(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C16H22N2O2 — CID 61253815

IUPAC(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)[C@@H]2CCCN2)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-13-8-6-12(7-9-13)15(11-4-5-11)18-16(19)14-3-2-10-17-14/h6-9,11,14-15,17H,2-5,10H2,1H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyGHHIRLCCCKIQSS-MLCCFXAWSA-N
MW274.36 g/mol
LogP2.01
Rot. Bonds5

About (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61253815) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID61253815
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)[C@@H]2CCCN2)C2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-13-8-6-12(7-9-13)15(11-4-5-11)18-16(19)14-3-2-10-17-14/h6-9,11,14-15,17H,2-5,10H2,1H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyGHHIRLCCCKIQSS-MLCCFXAWSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 46449818
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985157
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 61253815) is (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccc(C(NC(=O)[C@@H]2CCCN2)C2CC2)cc1.
What is the InChIKey of (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is GHHIRLCCCKIQSS-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-13-8-6-12(7-9-13)15(11-4-5-11)18-16(19)14-3-2-10-17-14/h6-9,11,14-15,17H,2-5,10H2,1H3,(H,18,19)/t14-,15?/m0/s1.
What are the key properties of (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61253815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).