N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane

C20H41N3O3 — CID 170758672

IUPACN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CCCC(CC)COC(C)C(NC(C)=O)C(=O)N1CCCC1CN
InChIInChI=1S/C18H35N3O3.C2H6/c1-5-8-15(6-2)12-24-13(3)17(20-14(4)22)18(23)21-10-7-9-16(21)11-19;1-2/h13,15-17H,5-12,19H2,1-4H3,(H,20,22);1-2H3
InChIKeyGKZPWRAWHRWASI-UHFFFAOYSA-N
MW371.57 g/mol
LogP2.70
Rot. Bonds10

About N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane (PubChem CID 170758672) has the molecular formula C20H41N3O3 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane
PubChem CID170758672
Molecular FormulaC20H41N3O3
Molecular Weight371.57 g/mol
Exact Mass371.31
IUPAC NameN-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CCCC(CC)COC(C)C(NC(C)=O)C(=O)N1CCCC1CN
InChIInChI=1S/C18H35N3O3.C2H6/c1-5-8-15(6-2)12-24-13(3)17(20-14(4)22)18(23)21-10-7-9-16(21)11-19;1-2/h13,15-17H,5-12,19H2,1-4H3,(H,20,22);1-2H3
InChIKeyGKZPWRAWHRWASI-UHFFFAOYSA-N
XLogP2.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane?
The IUPAC name of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane (CID 170758672) is N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane?
The canonical SMILES for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane is CC.CCCC(CC)COC(C)C(NC(C)=O)C(=O)N1CCCC1CN.
What is the InChIKey of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane?
The InChIKey is GKZPWRAWHRWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3.C2H6/c1-5-8-15(6-2)12-24-13(3)17(20-14(4)22)18(23)21-10-7-9-16(21)11-19;1-2/h13,15-17H,5-12,19H2,1-4H3,(H,20,22);1-2H3.
What are the key properties of N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane?
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane has a molecular weight of 371.57 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane is sourced from PubChem (CID 170758672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).