(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide

C18H25N5O2 — CID 94120113

IUPAC(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2nncn2C)cc1
InChIInChI=1S/C18H25N5O2/c1-4-25-15-9-7-14(8-10-15)16-6-5-11-23(16)18(24)20-13(2)17-21-19-12-22(17)3/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,20,24)/t13-,16+/m0/s1
InChIKeyUIZVQUBJMLSKDX-XJKSGUPXSA-N
MW343.43 g/mol
LogP2.82
Rot. Bonds5

About (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide

(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 94120113) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID94120113
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2nncn2C)cc1
InChIInChI=1S/C18H25N5O2/c1-4-25-15-9-7-14(8-10-15)16-6-5-11-23(16)18(24)20-13(2)17-21-19-12-22(17)3/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,20,24)/t13-,16+/m0/s1
InChIKeyUIZVQUBJMLSKDX-XJKSGUPXSA-N
XLogP2.82
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94120095
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60577976
(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-carboxamide
CID 97257536
(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide (CID 94120113) is (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide is CCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2nncn2C)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is UIZVQUBJMLSKDX-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-25-15-9-7-14(8-10-15)16-6-5-11-23(16)18(24)20-13(2)17-21-19-12-22(17)3/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,20,24)/t13-,16+/m0/s1.
What are the key properties of (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94120113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).