3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide

C14H20N2O — CID 142084350

IUPAC3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide
SMILESCN1CCC[C@@H]1c1ccc(CCC(N)=O)cc1
InChIInChI=1S/C14H20N2O/c1-16-10-2-3-13(16)12-7-4-11(5-8-12)6-9-14(15)17/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,15,17)/t13-/m1/s1
InChIKeySRJGOTHMRSZWKQ-CYBMUJFWSA-N
MW232.33 g/mol
LogP1.87
Rot. Bonds4

About 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide

3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide (PubChem CID 142084350) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide
PubChem CID142084350
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide
SMILESCN1CCC[C@@H]1c1ccc(CCC(N)=O)cc1
InChIInChI=1S/C14H20N2O/c1-16-10-2-3-13(16)12-7-4-11(5-8-12)6-9-14(15)17/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,15,17)/t13-/m1/s1
InChIKeySRJGOTHMRSZWKQ-CYBMUJFWSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
ethane;3-(4-methylphenyl)propanamide
CID 142510251
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
N-carbamoyl-N-[4-(1-methylpyrrolidin-2-yl)phenyl]-pentoxyphosphonamidic acid
CID 70574266
4-(1-methylpiperidin-2-yl)benzaldehyde
CID 20725622

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide?
The IUPAC name of 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide (CID 142084350) is 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide.
What is the SMILES notation for 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide?
The canonical SMILES for 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide is CN1CCC[C@@H]1c1ccc(CCC(N)=O)cc1.
What is the InChIKey of 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide?
The InChIKey is SRJGOTHMRSZWKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-10-2-3-13(16)12-7-4-11(5-8-12)6-9-14(15)17/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,15,17)/t13-/m1/s1.
What are the key properties of 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide?
3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide is sourced from PubChem (CID 142084350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).