4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide

C30H46N4O4 — CID 71582922

IUPAC4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
SMILESC/N=C1\OC2(CCCCC2)C(C)=C1C(=O)NCCCCCCNC(=O)C1=C(C)C2(CCCCC2)O/C1=N\C
InChIInChI=1S/C30H46N4O4/c1-21-23(27(31-3)37-29(21)15-9-7-10-16-29)25(35)33-19-13-5-6-14-20-34-26(36)24-22(2)30(38-28(24)32-4)17-11-8-12-18-30/h5-20H2,1-4H3,(H,33,35)(H,34,36)/b31-27-,32-28-
InChIKeyCSGPGNXMDRNFAH-YDWWYXFJSA-N
MW526.72 g/mol
LogP4.93
Rot. Bonds9

About 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide

4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 71582922) has the molecular formula C30H46N4O4 and a molecular weight of 526.72 g/mol. Its IUPAC name is 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID71582922
Molecular FormulaC30H46N4O4
Molecular Weight526.72 g/mol
Exact Mass526.35
IUPAC Name4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
SMILESC/N=C1\OC2(CCCCC2)C(C)=C1C(=O)NCCCCCCNC(=O)C1=C(C)C2(CCCCC2)O/C1=N\C
InChIInChI=1S/C30H46N4O4/c1-21-23(27(31-3)37-29(21)15-9-7-10-16-29)25(35)33-19-13-5-6-14-20-34-26(36)24-22(2)30(38-28(24)32-4)17-11-8-12-18-30/h5-20H2,1-4H3,(H,33,35)(H,34,36)/b31-27-,32-28-
InChIKeyCSGPGNXMDRNFAH-YDWWYXFJSA-N
XLogP4.93
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.72
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide (CID 71582922) is 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide is C/N=C1\OC2(CCCCC2)C(C)=C1C(=O)NCCCCCCNC(=O)C1=C(C)C2(CCCCC2)O/C1=N\C.
What is the InChIKey of 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is CSGPGNXMDRNFAH-YDWWYXFJSA-N. The full InChI is InChI=1S/C30H46N4O4/c1-21-23(27(31-3)37-29(21)15-9-7-10-16-29)25(35)33-19-13-5-6-14-20-34-26(36)24-22(2)30(38-28(24)32-4)17-11-8-12-18-30/h5-20H2,1-4H3,(H,33,35)(H,34,36)/b31-27-,32-28-.
What are the key properties of 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide?
4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 526.72 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylimino-N-[6-[(4-methyl-2-methylimino-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-1-oxaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 71582922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).