N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide

C20H32N2O3 — CID 146402134

IUPACN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ccccc1CC
InChIInChI=1S/C20H32N2O3/c1-6-15-10-8-9-11-17(15)25-14-20(3,4)19(23)21-16-12-22(5)13-18(16)24-7-2/h8-11,16,18H,6-7,12-14H2,1-5H3,(H,21,23)/t16-,18-/m1/s1
InChIKeyNBJGEZHRGHDBOS-SJLPKXTDSA-N
MW348.49 g/mol
LogP2.49
Rot. Bonds8

About N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide

N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide (PubChem CID 146402134) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
PubChem CID146402134
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ccccc1CC
InChIInChI=1S/C20H32N2O3/c1-6-15-10-8-9-11-17(15)25-14-20(3,4)19(23)21-16-12-22(5)13-18(16)24-7-2/h8-11,16,18H,6-7,12-14H2,1-5H3,(H,21,23)/t16-,18-/m1/s1
InChIKeyNBJGEZHRGHDBOS-SJLPKXTDSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 133268518
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 91783951
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
3-(benzenesulfonyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]propanamide
CID 91766764
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 159572753
3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 133265917
5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 70786517
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
CID 91767092
1-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-[4-(3-methoxyphenoxy)phenyl]urea
CID 133136689
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
N-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402203

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
The IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide (CID 146402134) is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide is CCO[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ccccc1CC.
What is the InChIKey of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
The InChIKey is NBJGEZHRGHDBOS-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-6-15-10-8-9-11-17(15)25-14-20(3,4)19(23)21-16-12-22(5)13-18(16)24-7-2/h8-11,16,18H,6-7,12-14H2,1-5H3,(H,21,23)/t16-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide?
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide is sourced from PubChem (CID 146402134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).