N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide

C18H28N2O — CID 63144020

IUPACN-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)CCc2ccccc2)CCNC1
InChIInChI=1S/C18H28N2O/c1-3-11-18(12-13-19-15-18)17(21)20(4-2)14-10-16-8-6-5-7-9-16/h5-9,19H,3-4,10-15H2,1-2H3
InChIKeyHZHGYZOAHXDPOY-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.86
Rot. Bonds7

About N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide

N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63144020) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63144020
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)CCc2ccccc2)CCNC1
InChIInChI=1S/C18H28N2O/c1-3-11-18(12-13-19-15-18)17(21)20(4-2)14-10-16-8-6-5-7-9-16/h5-9,19H,3-4,10-15H2,1-2H3
InChIKeyHZHGYZOAHXDPOY-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
3-phenylpropyl 3-propylpyrrolidine-3-carboxylate
CID 63145986
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143991
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N-(cyclopropylmethyl)-N,3-dipropylpyrrolidine-3-carboxamide
CID 63138996
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide (CID 63144020) is N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC)CCc2ccccc2)CCNC1.
What is the InChIKey of N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is HZHGYZOAHXDPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-11-18(12-13-19-15-18)17(21)20(4-2)14-10-16-8-6-5-7-9-16/h5-9,19H,3-4,10-15H2,1-2H3.
What are the key properties of N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide?
N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63144020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).