N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide

C24H28ClN7O5 — CID 129157644

IUPACN-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide
SMILESCc1ccc([C@H](Nc2c(Nc3ccc(Cl)c4c3C(=O)N(CCNNNN=O)C4)c(=O)c2=O)C(C)(C)C)o1
InChIInChI=1S/C24H28ClN7O5/c1-12-5-8-16(37-12)22(24(2,3)4)28-19-18(20(33)21(19)34)27-15-7-6-14(25)13-11-32(23(35)17(13)15)10-9-26-29-30-31-36/h5-8,22,27-28H,9-11H2,1-4H3,(H,29,31)(H2,26,30,36)/t22-/m0/s1
InChIKeyJLDFNYZSWWGMRS-QFIPXVFZSA-N
MW529.99 g/mol
LogP3.02
Rot. Bonds11

About N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide

N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide (PubChem CID 129157644) has the molecular formula C24H28ClN7O5 and a molecular weight of 529.99 g/mol. Its IUPAC name is N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide.

Molecular Properties

Compound NameN-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide
PubChem CID129157644
Molecular FormulaC24H28ClN7O5
Molecular Weight529.99 g/mol
Exact Mass529.18
IUPAC NameN-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide
SMILESCc1ccc([C@H](Nc2c(Nc3ccc(Cl)c4c3C(=O)N(CCNNNN=O)C4)c(=O)c2=O)C(C)(C)C)o1
InChIInChI=1S/C24H28ClN7O5/c1-12-5-8-16(37-12)22(24(2,3)4)28-19-18(20(33)21(19)34)27-15-7-6-14(25)13-11-32(23(35)17(13)15)10-9-26-29-30-31-36/h5-8,22,27-28H,9-11H2,1-4H3,(H,29,31)(H2,26,30,36)/t22-/m0/s1
InChIKeyJLDFNYZSWWGMRS-QFIPXVFZSA-N
XLogP3.02
TPSA157.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.99
LogP ≤ 53.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide?
The IUPAC name of N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide (CID 129157644) is N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide.
What is the SMILES notation for N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide?
The canonical SMILES for N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide is Cc1ccc([C@H](Nc2c(Nc3ccc(Cl)c4c3C(=O)N(CCNNNN=O)C4)c(=O)c2=O)C(C)(C)C)o1.
What is the InChIKey of N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide?
The InChIKey is JLDFNYZSWWGMRS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28ClN7O5/c1-12-5-8-16(37-12)22(24(2,3)4)28-19-18(20(33)21(19)34)27-15-7-6-14(25)13-11-32(23(35)17(13)15)10-9-26-29-30-31-36/h5-8,22,27-28H,9-11H2,1-4H3,(H,29,31)(H2,26,30,36)/t22-/m0/s1.
What are the key properties of N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide?
N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide has a molecular weight of 529.99 g/mol, XLogP of 3.02, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]ethyl]hydrazinyl]nitrous amide is sourced from PubChem (CID 129157644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).