2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide

C15H21N3O3 — CID 94797807

IUPAC2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CC[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)17-14(19)10-18-8-7-12(9-18)11-3-5-13(21-2)6-4-11/h3-6,12H,7-10H2,1-2H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyFFVXYQXSIJETLR-LBPRGKRZSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds4

About 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide

2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 94797807) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID94797807
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CC[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)17-14(19)10-18-8-7-12(9-18)11-3-5-13(21-2)6-4-11/h3-6,12H,7-10H2,1-2H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyFFVXYQXSIJETLR-LBPRGKRZSA-N
XLogP0.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 17486362
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 103898599
2-[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 71923204
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]acetamide
CID 16674311

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide (CID 94797807) is 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CC[C@H](c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is FFVXYQXSIJETLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-15(20)17-14(19)10-18-8-7-12(9-18)11-3-5-13(21-2)6-4-11/h3-6,12H,7-10H2,1-2H3,(H2,16,17,19,20)/t12-/m0/s1.
What are the key properties of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 94797807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).