N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide

C23H39N3O6 — CID 170415407

IUPACN-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide
SMILESCNC(CCC(C)=O)CC(=O)NC(CCC(C)=O)CC(=O)NC(CCC(C)=O)CC(C)=O
InChIInChI=1S/C23H39N3O6/c1-15(27)6-9-19(24-5)13-22(31)26-21(11-8-17(3)29)14-23(32)25-20(12-18(4)30)10-7-16(2)28/h19-21,24H,6-14H2,1-5H3,(H,25,32)(H,26,31)
InChIKeyFKIZPERPBNLIGB-UHFFFAOYSA-N
MW453.58 g/mol
LogP1.41
Rot. Bonds18

About N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide

N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide (PubChem CID 170415407) has the molecular formula C23H39N3O6 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide.

Molecular Properties

Compound NameN-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide
PubChem CID170415407
Molecular FormulaC23H39N3O6
Molecular Weight453.58 g/mol
Exact Mass453.28
IUPAC NameN-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide
SMILESCNC(CCC(C)=O)CC(=O)NC(CCC(C)=O)CC(=O)NC(CCC(C)=O)CC(C)=O
InChIInChI=1S/C23H39N3O6/c1-15(27)6-9-19(24-5)13-22(31)26-21(11-8-17(3)29)14-23(32)25-20(12-18(4)30)10-7-16(2)28/h19-21,24H,6-14H2,1-5H3,(H,25,32)(H,26,31)
InChIKeyFKIZPERPBNLIGB-UHFFFAOYSA-N
XLogP1.41
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide?
The IUPAC name of N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide (CID 170415407) is N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide.
What is the SMILES notation for N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide?
The canonical SMILES for N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide is CNC(CCC(C)=O)CC(=O)NC(CCC(C)=O)CC(=O)NC(CCC(C)=O)CC(C)=O.
What is the InChIKey of N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide?
The InChIKey is FKIZPERPBNLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O6/c1-15(27)6-9-19(24-5)13-22(31)26-21(11-8-17(3)29)14-23(32)25-20(12-18(4)30)10-7-16(2)28/h19-21,24H,6-14H2,1-5H3,(H,25,32)(H,26,31).
What are the key properties of N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide?
N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide has a molecular weight of 453.58 g/mol, XLogP of 1.41, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dioxooctan-4-ylamino)-1,6-dioxoheptan-3-yl]-3-(methylamino)-6-oxoheptanamide is sourced from PubChem (CID 170415407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).