N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide

C17H26N2O2 — CID 119709145

IUPACN-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCNC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-19(17(20)15-9-10-18-12-15)13(2)11-14-5-7-16(21-3)8-6-14/h5-8,13,15,18H,4,9-12H2,1-3H3
InChIKeyNCRKHAJAMSZTOY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.08
Rot. Bonds6

About N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide

N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 119709145) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID119709145
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCNC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-19(17(20)15-9-10-18-12-15)13(2)11-14-5-7-16(21-3)8-6-14/h5-8,13,15,18H,4,9-12H2,1-3H3
InChIKeyNCRKHAJAMSZTOY-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide (CID 119709145) is N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide is CCN(C(=O)C1CCNC1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is NCRKHAJAMSZTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(17(20)15-9-10-18-12-15)13(2)11-14-5-7-16(21-3)8-6-14/h5-8,13,15,18H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119709145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).