N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C16H24N2O — CID 106979455

IUPACN-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(C)C)CCNC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-12(2)16(9-10-17-11-16)15(19)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,18,19)
InChIKeyIFBURCHIKUWYGL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds4

About N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979455) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979455
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(C)C)CCNC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-12(2)16(9-10-17-11-16)15(19)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,18,19)
InChIKeyIFBURCHIKUWYGL-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
3-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114168036
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979821
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979455) is N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(NC(=O)C1(C(C)C)CCNC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IFBURCHIKUWYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)16(9-10-17-11-16)15(19)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).