1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione

C24H38N4O4 — CID 67842882

IUPAC1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCCCC(C(N)CCCCCCCN)N2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C24H38N4O4/c1-17-15-21(29)27(23(17)31)14-10-6-8-12-20(28-22(30)16-18(2)24(28)32)19(26)11-7-4-3-5-9-13-25/h15-16,19-20H,3-14,25-26H2,1-2H3
InChIKeyUSRLAIZZGAOPGG-UHFFFAOYSA-N
MW446.59 g/mol
LogP2.17
Rot. Bonds15

About 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione

1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione (PubChem CID 67842882) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione
PubChem CID67842882
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCCCC(C(N)CCCCCCCN)N2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C24H38N4O4/c1-17-15-21(29)27(23(17)31)14-10-6-8-12-20(28-22(30)16-18(2)24(28)32)19(26)11-7-4-3-5-9-13-25/h15-16,19-20H,3-14,25-26H2,1-2H3
InChIKeyUSRLAIZZGAOPGG-UHFFFAOYSA-N
XLogP2.17
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione (CID 67842882) is 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CCCCCC(C(N)CCCCCCCN)N2C(=O)C=C(C)C2=O)C1=O.
What is the InChIKey of 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione?
The InChIKey is USRLAIZZGAOPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-17-15-21(29)27(23(17)31)14-10-6-8-12-20(28-22(30)16-18(2)24(28)32)19(26)11-7-4-3-5-9-13-25/h15-16,19-20H,3-14,25-26H2,1-2H3.
What are the key properties of 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione?
1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione has a molecular weight of 446.59 g/mol, XLogP of 2.17, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,14-diamino-6-(3-methyl-2,5-dioxopyrrol-1-yl)tetradecyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 67842882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).