(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide

C15H22N2O2 — CID 128982159

IUPAC(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCc1ccccc1CN1C[C@@H](OC)C[C@H]1C(N)=O
InChIInChI=1S/C15H22N2O2/c1-3-11-6-4-5-7-12(11)9-17-10-13(19-2)8-14(17)15(16)18/h4-7,13-14H,3,8-10H2,1-2H3,(H2,16,18)/t13-,14-/m0/s1
InChIKeyYRISXQBDLLQJRK-KBPBESRZSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds5

About (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128982159) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128982159
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCc1ccccc1CN1C[C@@H](OC)C[C@H]1C(N)=O
InChIInChI=1S/C15H22N2O2/c1-3-11-6-4-5-7-12(11)9-17-10-13(19-2)8-14(17)15(16)18/h4-7,13-14H,3,8-10H2,1-2H3,(H2,16,18)/t13-,14-/m0/s1
InChIKeyYRISXQBDLLQJRK-KBPBESRZSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide (CID 128982159) is (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide is CCc1ccccc1CN1C[C@@H](OC)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is YRISXQBDLLQJRK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-6-4-5-7-12(11)9-17-10-13(19-2)8-14(17)15(16)18/h4-7,13-14H,3,8-10H2,1-2H3,(H2,16,18)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128982159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).