2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide

C29H57N3O4 — CID 90983909

IUPAC2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)CN(CC(=O)N(CC)CCC(C)C)C(=O)COCC(CCC)(CCC)CCC
InChIInChI=1S/C29H57N3O4/c1-9-16-29(17-10-2,18-11-3)24-36-23-28(35)32(21-26(33)30(13-5)19-12-4)22-27(34)31(14-6)20-15-25(7)8/h25H,9-24H2,1-8H3
InChIKeySTYJHWVRCFQUMU-UHFFFAOYSA-N
MW511.79 g/mol
LogP5.37
Rot. Bonds21

About 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide

2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide (PubChem CID 90983909) has the molecular formula C29H57N3O4 and a molecular weight of 511.79 g/mol. Its IUPAC name is 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide
PubChem CID90983909
Molecular FormulaC29H57N3O4
Molecular Weight511.79 g/mol
Exact Mass511.43
IUPAC Name2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)CN(CC(=O)N(CC)CCC(C)C)C(=O)COCC(CCC)(CCC)CCC
InChIInChI=1S/C29H57N3O4/c1-9-16-29(17-10-2,18-11-3)24-36-23-28(35)32(21-26(33)30(13-5)19-12-4)22-27(34)31(14-6)20-15-25(7)8/h25H,9-24H2,1-8H3
InChIKeySTYJHWVRCFQUMU-UHFFFAOYSA-N
XLogP5.37
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.79
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide?
The IUPAC name of 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide (CID 90983909) is 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide?
The canonical SMILES for 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide is CCCN(CC)C(=O)CN(CC(=O)N(CC)CCC(C)C)C(=O)COCC(CCC)(CCC)CCC.
What is the InChIKey of 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide?
The InChIKey is STYJHWVRCFQUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57N3O4/c1-9-16-29(17-10-2,18-11-3)24-36-23-28(35)32(21-26(33)30(13-5)19-12-4)22-27(34)31(14-6)20-15-25(7)8/h25H,9-24H2,1-8H3.
What are the key properties of 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide?
2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide has a molecular weight of 511.79 g/mol, XLogP of 5.37, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dipropylpentoxy)acetyl]-[2-[ethyl(3-methylbutyl)amino]-2-oxoethyl]amino]-N-ethyl-N-propylacetamide is sourced from PubChem (CID 90983909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).