N-(1-phenylethyl)pyrrolidine-1-carboxamide

C13H18N2O — CID 108987850

IUPACN-(1-phenylethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(12-7-3-2-4-8-12)14-13(16)15-9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,16)
InChIKeyGHLBPSLBKCHWHA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds2

About N-(1-phenylethyl)pyrrolidine-1-carboxamide

N-(1-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 108987850) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID108987850
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1-phenylethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(12-7-3-2-4-8-12)14-13(16)15-9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,16)
InChIKeyGHLBPSLBKCHWHA-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
CID 70513646
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)pyrrolidine-1-carboxamide (CID 108987850) is N-(1-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is GHLBPSLBKCHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(12-7-3-2-4-8-12)14-13(16)15-9-5-6-10-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,16).
What are the key properties of N-(1-phenylethyl)pyrrolidine-1-carboxamide?
N-(1-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 108987850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).