(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide

C16H24N2O2 — CID 124844033

IUPAC(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide
SMILESCCOCc1cccc(NC(=O)[C@@H]2CCN(C)[C@H]2C)c1
InChIInChI=1S/C16H24N2O2/c1-4-20-11-13-6-5-7-14(10-13)17-16(19)15-8-9-18(3)12(15)2/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyFNJWJLRCEIWMIQ-SWLSCSKDSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds5

About (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide

(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 124844033) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide
PubChem CID124844033
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide
SMILESCCOCc1cccc(NC(=O)[C@@H]2CCN(C)[C@H]2C)c1
InChIInChI=1S/C16H24N2O2/c1-4-20-11-13-6-5-7-14(10-13)17-16(19)15-8-9-18(3)12(15)2/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyFNJWJLRCEIWMIQ-SWLSCSKDSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 166231411
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
(2S,3aR,7aS)-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 97235183
N-[3-(ethoxymethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432650
(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
CID 119768827
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 47028913
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide (CID 124844033) is (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide is CCOCc1cccc(NC(=O)[C@@H]2CCN(C)[C@H]2C)c1.
What is the InChIKey of (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is FNJWJLRCEIWMIQ-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-11-13-6-5-7-14(10-13)17-16(19)15-8-9-18(3)12(15)2/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,17,19)/t12-,15+/m0/s1.
What are the key properties of (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide?
(2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[3-(ethoxymethyl)phenyl]-1,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124844033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).