(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone

C17H25NO3 — CID 97256072

IUPAC(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
SMILESCC[C@H]1CC[C@@H](C)N1C(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-6-14-8-7-11(2)18(14)17(19)13-9-15(20-4)12(3)16(10-13)21-5/h9-11,14H,6-8H2,1-5H3/t11-,14+/m1/s1
InChIKeyWKVUZSSQJCAURN-RISCZKNCSA-N
MW291.39 g/mol
LogP3.42
Rot. Bonds4

About (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone

(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone (PubChem CID 97256072) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
PubChem CID97256072
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
SMILESCC[C@H]1CC[C@@H](C)N1C(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-6-14-8-7-11(2)18(14)17(19)13-9-15(20-4)12(3)16(10-13)21-5/h9-11,14H,6-8H2,1-5H3/t11-,14+/m1/s1
InChIKeyWKVUZSSQJCAURN-RISCZKNCSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 113396247
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 83222002
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]methanone
CID 83220481
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
4-[2-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile
CID 97256345
(E)-3-[4-(2-ethyl-5-methylpyrrolidine-1-carbonyl)thiophen-2-yl]prop-2-enoic acid
CID 83220335
(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone (CID 97256072) is (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone is CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone?
The InChIKey is WKVUZSSQJCAURN-RISCZKNCSA-N. The full InChI is InChI=1S/C17H25NO3/c1-6-14-8-7-11(2)18(14)17(19)13-9-15(20-4)12(3)16(10-13)21-5/h9-11,14H,6-8H2,1-5H3/t11-,14+/m1/s1.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone?
(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97256072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).