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

C30H59N3O4 — CID 91212642

IUPAC2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(CC(=O)N(CCC)CCC)C(=O)COCC(CCC)(CCC)CC(C)C
InChIInChI=1S/C30H59N3O4/c1-9-15-30(16-10-2,21-26(7)8)25-37-24-29(36)33(22-27(34)31(17-11-3)18-12-4)23-28(35)32(19-13-5)20-14-6/h26H,9-25H2,1-8H3
InChIKeyBMMNMUHFZKUCJP-UHFFFAOYSA-N
MW525.82 g/mol
LogP5.76
Rot. Bonds22

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

2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide (PubChem CID 91212642) has the molecular formula C30H59N3O4 and a molecular weight of 525.82 g/mol. Its IUPAC name is 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide
PubChem CID91212642
Molecular FormulaC30H59N3O4
Molecular Weight525.82 g/mol
Exact Mass525.45
IUPAC Name2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(CC(=O)N(CCC)CCC)C(=O)COCC(CCC)(CCC)CC(C)C
InChIInChI=1S/C30H59N3O4/c1-9-15-30(16-10-2,21-26(7)8)25-37-24-29(36)33(22-27(34)31(17-11-3)18-12-4)23-28(35)32(19-13-5)20-14-6/h26H,9-25H2,1-8H3
InChIKeyBMMNMUHFZKUCJP-UHFFFAOYSA-N
XLogP5.76
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.82
LogP ≤ 55.76
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-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide (CID 91212642) is 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(CC(=O)N(CCC)CCC)C(=O)COCC(CCC)(CCC)CC(C)C.
What is the InChIKey of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide?
The InChIKey is BMMNMUHFZKUCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N3O4/c1-9-15-30(16-10-2,21-26(7)8)25-37-24-29(36)33(22-27(34)31(17-11-3)18-12-4)23-28(35)32(19-13-5)20-14-6/h26H,9-25H2,1-8H3.
What are the key properties of 2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide?
2-[[2-(dipropylamino)-2-oxoethyl]-[2-(4-methyl-2,2-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide has a molecular weight of 525.82 g/mol, XLogP of 5.76, 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-dipropylpentoxy)acetyl]amino]-N,N-dipropylacetamide is sourced from PubChem (CID 91212642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).