N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide

C24H34N4O2 — CID 4630871

IUPACN,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)CCC(=O)NN=C2CC(C(=C)C)CC=C2C)C1
InChIInChI=1S/C24H34N4O2/c1-15(2)19-9-7-17(5)21(13-19)25-27-23(29)11-12-24(30)28-26-22-14-20(16(3)4)10-8-18(22)6/h7-8,19-20H,1,3,9-14H2,2,4-6H3,(H,27,29)(H,28,30)
InChIKeyZEPKKXYCXXCLCM-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.58
Rot. Bonds7

About N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide

N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide (PubChem CID 4630871) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide
PubChem CID4630871
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)CCC(=O)NN=C2CC(C(=C)C)CC=C2C)C1
InChIInChI=1S/C24H34N4O2/c1-15(2)19-9-7-17(5)21(13-19)25-27-23(29)11-12-24(30)28-26-22-14-20(16(3)4)10-8-18(22)6/h7-8,19-20H,1,3,9-14H2,2,4-6H3,(H,27,29)(H,28,30)
InChIKeyZEPKKXYCXXCLCM-UHFFFAOYSA-N
XLogP4.58
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide?
The IUPAC name of N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide (CID 4630871) is N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide.
What is the SMILES notation for N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide?
The canonical SMILES for N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide is C=C(C)C1CC=C(C)C(=NNC(=O)CCC(=O)NN=C2CC(C(=C)C)CC=C2C)C1.
What is the InChIKey of N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide?
The InChIKey is ZEPKKXYCXXCLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-15(2)19-9-7-17(5)21(13-19)25-27-23(29)11-12-24(30)28-26-22-14-20(16(3)4)10-8-18(22)6/h7-8,19-20H,1,3,9-14H2,2,4-6H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide?
N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide has a molecular weight of 410.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide is sourced from PubChem (CID 4630871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).