N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide

C18H25N5O2 — CID 126802242

IUPACN-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2C[C@H](OC)C[C@H]2c2nncn2C)c1
InChIInChI=1S/C18H25N5O2/c1-4-13-6-5-7-14(8-13)20-17(24)11-23-10-15(25-3)9-16(23)18-21-19-12-22(18)2/h5-8,12,15-16H,4,9-11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyKSHHQYKALNAQAQ-CVEARBPZSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds6

About N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide

N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 126802242) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID126802242
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2C[C@H](OC)C[C@H]2c2nncn2C)c1
InChIInChI=1S/C18H25N5O2/c1-4-13-6-5-7-14(8-13)20-17(24)11-23-10-15(25-3)9-16(23)18-21-19-12-22(18)2/h5-8,12,15-16H,4,9-11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyKSHHQYKALNAQAQ-CVEARBPZSA-N
XLogP1.78
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 128983901
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
3-[(2S,4R)-1-[2-(4-chlorophenoxy)ethyl]-4-methoxypyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 128982102
N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106782
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531213
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-ethylphenyl)acetamide
CID 7935145

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide (CID 126802242) is N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2C[C@H](OC)C[C@H]2c2nncn2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is KSHHQYKALNAQAQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-13-6-5-7-14(8-13)20-17(24)11-23-10-15(25-3)9-16(23)18-21-19-12-22(18)2/h5-8,12,15-16H,4,9-11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1.
What are the key properties of N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 126802242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).