4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide

C23H29N7O9 — CID 90385896

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
SMILESO=C(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H29N7O9/c31-15(2-1-10-29-20(36)3-4-21(29)37)26-13-18(34)28-14-19(35)27-12-17(33)24-8-7-16(32)25-9-11-30-22(38)5-6-23(30)39/h3-6H,1-2,7-14H2,(H,24,33)(H,25,32)(H,26,31)(H,27,35)(H,28,34)
InChIKeyKSZFMFNFHBMMJW-UHFFFAOYSA-N
MW547.53 g/mol
LogP-4.41
Rot. Bonds16

About 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide

4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide (PubChem CID 90385896) has the molecular formula C23H29N7O9 and a molecular weight of 547.53 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
PubChem CID90385896
Molecular FormulaC23H29N7O9
Molecular Weight547.53 g/mol
Exact Mass547.20
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
SMILESO=C(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H29N7O9/c31-15(2-1-10-29-20(36)3-4-21(29)37)26-13-18(34)28-14-19(35)27-12-17(33)24-8-7-16(32)25-9-11-30-22(38)5-6-23(30)39/h3-6H,1-2,7-14H2,(H,24,33)(H,25,32)(H,26,31)(H,27,35)(H,28,34)
InChIKeyKSZFMFNFHBMMJW-UHFFFAOYSA-N
XLogP-4.41
TPSA220.26 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.53
LogP ≤ 5-4.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide (CID 90385896) is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide is O=C(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?
The InChIKey is KSZFMFNFHBMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O9/c31-15(2-1-10-29-20(36)3-4-21(29)37)26-13-18(34)28-14-19(35)27-12-17(33)24-8-7-16(32)25-9-11-30-22(38)5-6-23(30)39/h3-6H,1-2,7-14H2,(H,24,33)(H,25,32)(H,26,31)(H,27,35)(H,28,34).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide has a molecular weight of 547.53 g/mol, XLogP of -4.41, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-[[3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 90385896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).