N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide

C26H46N8O8 — CID 58590306

IUPACN-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide
SMILESCCC(=O)N(CCNC(=O)N(CCNC(=O)N(CCNC(=O)N(CCNC)C(=O)CC)C(=O)CC)C(=O)CC)C(C)=O
InChIInChI=1S/C26H46N8O8/c1-7-20(36)31(19(5)35)16-12-28-25(41)33(22(38)9-3)18-14-30-26(42)34(23(39)10-4)17-13-29-24(40)32(15-11-27-6)21(37)8-2/h27H,7-18H2,1-6H3,(H,28,41)(H,29,40)(H,30,42)
InChIKeyLWSSXGXZRGXIBX-UHFFFAOYSA-N
MW598.70 g/mol
LogP-0.16
Rot. Bonds16

About N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide

N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide (PubChem CID 58590306) has the molecular formula C26H46N8O8 and a molecular weight of 598.70 g/mol. Its IUPAC name is N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide
PubChem CID58590306
Molecular FormulaC26H46N8O8
Molecular Weight598.70 g/mol
Exact Mass598.34
IUPAC NameN-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide
SMILESCCC(=O)N(CCNC(=O)N(CCNC(=O)N(CCNC(=O)N(CCNC)C(=O)CC)C(=O)CC)C(=O)CC)C(C)=O
InChIInChI=1S/C26H46N8O8/c1-7-20(36)31(19(5)35)16-12-28-25(41)33(22(38)9-3)18-14-30-26(42)34(23(39)10-4)17-13-29-24(40)32(15-11-27-6)21(37)8-2/h27H,7-18H2,1-6H3,(H,28,41)(H,29,40)(H,30,42)
InChIKeyLWSSXGXZRGXIBX-UHFFFAOYSA-N
XLogP-0.16
TPSA197.64 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.70
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide?
The IUPAC name of N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide (CID 58590306) is N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide.
What is the SMILES notation for N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide?
The canonical SMILES for N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide is CCC(=O)N(CCNC(=O)N(CCNC(=O)N(CCNC(=O)N(CCNC)C(=O)CC)C(=O)CC)C(=O)CC)C(C)=O.
What is the InChIKey of N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide?
The InChIKey is LWSSXGXZRGXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N8O8/c1-7-20(36)31(19(5)35)16-12-28-25(41)33(22(38)9-3)18-14-30-26(42)34(23(39)10-4)17-13-29-24(40)32(15-11-27-6)21(37)8-2/h27H,7-18H2,1-6H3,(H,28,41)(H,29,40)(H,30,42).
What are the key properties of N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide?
N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide has a molecular weight of 598.70 g/mol, XLogP of -0.16, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-[[2-[[2-[[2-(methylamino)ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl-propanoylcarbamoyl]amino]ethyl]propanamide is sourced from PubChem (CID 58590306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).