N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide

C17H31N3O4 — CID 121265243

IUPACN-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide
SMILESCC(=O)CCCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(C)C
InChIInChI=1S/C17H31N3O4/c1-10(2)12(4)19-17(24)14(6)20-16(23)13(5)18-15(22)9-7-8-11(3)21/h10,12-14H,7-9H2,1-6H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyDOFSZGIXXCVJOP-UHFFFAOYSA-N
MW341.45 g/mol
LogP0.92
Rot. Bonds10

About N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide

N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide (PubChem CID 121265243) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide.

Molecular Properties

Compound NameN-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide
PubChem CID121265243
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC NameN-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide
SMILESCC(=O)CCCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(C)C
InChIInChI=1S/C17H31N3O4/c1-10(2)12(4)19-17(24)14(6)20-16(23)13(5)18-15(22)9-7-8-11(3)21/h10,12-14H,7-9H2,1-6H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyDOFSZGIXXCVJOP-UHFFFAOYSA-N
XLogP0.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide?
The IUPAC name of N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide (CID 121265243) is N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide.
What is the SMILES notation for N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide?
The canonical SMILES for N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide is CC(=O)CCCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(C)C.
What is the InChIKey of N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide?
The InChIKey is DOFSZGIXXCVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-10(2)12(4)19-17(24)14(6)20-16(23)13(5)18-15(22)9-7-8-11(3)21/h10,12-14H,7-9H2,1-6H3,(H,18,22)(H,19,24)(H,20,23).
What are the key properties of N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide?
N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide has a molecular weight of 341.45 g/mol, XLogP of 0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide is sourced from PubChem (CID 121265243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).