N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide

C14H20N2O — CID 94647353

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-5-7-13(8-6-11)12(2)15-14(17)16-9-3-4-10-16/h5-8,12H,3-4,9-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyAWUQODDTFKDJJY-GFCCVEGCSA-N
MW232.33 g/mol
LogP2.86
Rot. Bonds2

About N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide

N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 94647353) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID94647353
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-5-7-13(8-6-11)12(2)15-14(17)16-9-3-4-10-16/h5-8,12H,3-4,9-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyAWUQODDTFKDJJY-GFCCVEGCSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 86861417
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134251

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide (CID 94647353) is N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide is Cc1ccc([C@@H](C)NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is AWUQODDTFKDJJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-7-13(8-6-11)12(2)15-14(17)16-9-3-4-10-16/h5-8,12H,3-4,9-10H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide?
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94647353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).