2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide

C31H61N3O4 — CID 90856197

IUPAC2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(CC(=O)N(CCC)CCC)C(=O)COCC(CCC)(CC(C)C)CC(C)C
InChIInChI=1S/C31H61N3O4/c1-10-15-31(20-26(6)7,21-27(8)9)25-38-24-30(37)34(22-28(35)32(16-11-2)17-12-3)23-29(36)33(18-13-4)19-14-5/h26-27H,10-25H2,1-9H3
InChIKeyRMSOOKWZQNZICW-UHFFFAOYSA-N
MW539.85 g/mol
LogP6.01
Rot. Bonds22

About 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide

2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide (PubChem CID 90856197) has the molecular formula C31H61N3O4 and a molecular weight of 539.85 g/mol. Its IUPAC name is 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide
PubChem CID90856197
Molecular FormulaC31H61N3O4
Molecular Weight539.85 g/mol
Exact Mass539.47
IUPAC Name2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(CC(=O)N(CCC)CCC)C(=O)COCC(CCC)(CC(C)C)CC(C)C
InChIInChI=1S/C31H61N3O4/c1-10-15-31(20-26(6)7,21-27(8)9)25-38-24-30(37)34(22-28(35)32(16-11-2)17-12-3)23-29(36)33(18-13-4)19-14-5/h26-27H,10-25H2,1-9H3
InChIKeyRMSOOKWZQNZICW-UHFFFAOYSA-N
XLogP6.01
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide (CID 90856197) is 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(CC(=O)N(CCC)CCC)C(=O)COCC(CCC)(CC(C)C)CC(C)C.
What is the InChIKey of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide?
The InChIKey is RMSOOKWZQNZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H61N3O4/c1-10-15-31(20-26(6)7,21-27(8)9)25-38-24-30(37)34(22-28(35)32(16-11-2)17-12-3)23-29(36)33(18-13-4)19-14-5/h26-27H,10-25H2,1-9H3.
What are the key properties of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide?
2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide has a molecular weight of 539.85 g/mol, XLogP of 6.01, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dipropylamino)-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]-N,N-dipropylacetamide is sourced from PubChem (CID 90856197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).