N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane

C22H46N2O4 — CID 143802344

IUPACN-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane
SMILESCC.CCC(C)(CCN)COCC(CC)(CC)CCNC(=O)COCC(C)=O
InChIInChI=1S/C20H40N2O4.C2H6/c1-6-19(5,9-11-21)15-26-16-20(7-2,8-3)10-12-22-18(24)14-25-13-17(4)23;1-2/h6-16,21H2,1-5H3,(H,22,24);1-2H3
InChIKeyVOIPCMCUBPOIBD-UHFFFAOYSA-N
MW402.62 g/mol
LogP3.71
Rot. Bonds16

About N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane

N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane (PubChem CID 143802344) has the molecular formula C22H46N2O4 and a molecular weight of 402.62 g/mol. Its IUPAC name is N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane.

Molecular Properties

Compound NameN-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane
PubChem CID143802344
Molecular FormulaC22H46N2O4
Molecular Weight402.62 g/mol
Exact Mass402.35
IUPAC NameN-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane
SMILESCC.CCC(C)(CCN)COCC(CC)(CC)CCNC(=O)COCC(C)=O
InChIInChI=1S/C20H40N2O4.C2H6/c1-6-19(5,9-11-21)15-26-16-20(7-2,8-3)10-12-22-18(24)14-25-13-17(4)23;1-2/h6-16,21H2,1-5H3,(H,22,24);1-2H3
InChIKeyVOIPCMCUBPOIBD-UHFFFAOYSA-N
XLogP3.71
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane?
The IUPAC name of N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane (CID 143802344) is N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane.
What is the SMILES notation for N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane?
The canonical SMILES for N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane is CC.CCC(C)(CCN)COCC(CC)(CC)CCNC(=O)COCC(C)=O.
What is the InChIKey of N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane?
The InChIKey is VOIPCMCUBPOIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4.C2H6/c1-6-19(5,9-11-21)15-26-16-20(7-2,8-3)10-12-22-18(24)14-25-13-17(4)23;1-2/h6-16,21H2,1-5H3,(H,22,24);1-2H3.
What are the key properties of N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane?
N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane has a molecular weight of 402.62 g/mol, XLogP of 3.71, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-2-ethyl-2-methylbutoxy)methyl]-3-ethylpentyl]-2-(2-oxopropoxy)acetamide;ethane is sourced from PubChem (CID 143802344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).