N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide

C17H26N2O3 — CID 129480913

IUPACN-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)CCN1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C17H26N2O3/c1-4-18(2)17(21)8-9-19-12-14(20)11-16(19)13-6-5-7-15(10-13)22-3/h5-7,10,14,16,20H,4,8-9,11-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyBXACZILFTDDKON-ZBFHGGJFSA-N
MW306.41 g/mol
LogP1.67
Rot. Bonds6

About N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide

N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 129480913) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID129480913
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)CCN1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C17H26N2O3/c1-4-18(2)17(21)8-9-19-12-14(20)11-16(19)13-6-5-7-15(10-13)22-3/h5-7,10,14,16,20H,4,8-9,11-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyBXACZILFTDDKON-ZBFHGGJFSA-N
XLogP1.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
3-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100736736
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide
CID 129480153
N-ethyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447306
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 100736817
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129481337
(3R,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100751648
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957
(3R,5S)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346555
(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 100736568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide (CID 129480913) is N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide is CCN(C)C(=O)CCN1C[C@H](O)C[C@H]1c1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is BXACZILFTDDKON-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-18(2)17(21)8-9-19-12-14(20)11-16(19)13-6-5-7-15(10-13)22-3/h5-7,10,14,16,20H,4,8-9,11-12H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide?
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 129480913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).