(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide

C32H44N2O2 — CID 101373282

IUPAC(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
SMILESCCC/C(C(=O)Nc1ccc(C)cc1)=C(CCC)/C(CCC)=C(/CCC)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C32H44N2O2/c1-7-11-27(29(13-9-3)31(35)33-25-19-15-23(5)16-20-25)28(12-8-2)30(14-10-4)32(36)34-26-21-17-24(6)18-22-26/h15-22H,7-14H2,1-6H3,(H,33,35)(H,34,36)/b29-27-,30-28-
InChIKeyVMHJELKBQTXBSI-ZUELCTOOSA-N
MW488.72 g/mol
LogP8.67
Rot. Bonds13

About (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide

(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide (PubChem CID 101373282) has the molecular formula C32H44N2O2 and a molecular weight of 488.72 g/mol. Its IUPAC name is (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide.

Molecular Properties

Compound Name(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
PubChem CID101373282
Molecular FormulaC32H44N2O2
Molecular Weight488.72 g/mol
Exact Mass488.34
IUPAC Name(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
SMILESCCC/C(C(=O)Nc1ccc(C)cc1)=C(CCC)/C(CCC)=C(/CCC)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C32H44N2O2/c1-7-11-27(29(13-9-3)31(35)33-25-19-15-23(5)16-20-25)28(12-8-2)30(14-10-4)32(36)34-26-21-17-24(6)18-22-26/h15-22H,7-14H2,1-6H3,(H,33,35)(H,34,36)/b29-27-,30-28-
InChIKeyVMHJELKBQTXBSI-ZUELCTOOSA-N
XLogP8.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-methylphenyl)acetamide
CID 7684
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
CID 115623569
2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
CID 7120921

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide?
The IUPAC name of (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide (CID 101373282) is (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide.
What is the SMILES notation for (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide?
The canonical SMILES for (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide is CCC/C(C(=O)Nc1ccc(C)cc1)=C(CCC)/C(CCC)=C(/CCC)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide?
The InChIKey is VMHJELKBQTXBSI-ZUELCTOOSA-N. The full InChI is InChI=1S/C32H44N2O2/c1-7-11-27(29(13-9-3)31(35)33-25-19-15-23(5)16-20-25)28(12-8-2)30(14-10-4)32(36)34-26-21-17-24(6)18-22-26/h15-22H,7-14H2,1-6H3,(H,33,35)(H,34,36)/b29-27-,30-28-.
What are the key properties of (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide?
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide has a molecular weight of 488.72 g/mol, XLogP of 8.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide is sourced from PubChem (CID 101373282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).