N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide

C20H27N3O2 — CID 6135333

IUPACN-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C\C=C(/C)CCC=C(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-5-19(24)22-18-11-9-17(10-12-18)20(25)23-21-14-13-16(4)8-6-7-15(2)3/h7,9-14H,5-6,8H2,1-4H3,(H,22,24)(H,23,25)/b16-13+,21-14-
InChIKeyBOHKKPWNPIOOBT-CQPDGHCISA-N
MW341.46 g/mol
LogP4.44
Rot. Bonds8

About N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide

N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide (PubChem CID 6135333) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide
PubChem CID6135333
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C\C=C(/C)CCC=C(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-5-19(24)22-18-11-9-17(10-12-18)20(25)23-21-14-13-16(4)8-6-7-15(2)3/h7,9-14H,5-6,8H2,1-4H3,(H,22,24)(H,23,25)/b16-13+,21-14-
InChIKeyBOHKKPWNPIOOBT-CQPDGHCISA-N
XLogP4.44
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide
CID 129460373
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6014232
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 3956222
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide (CID 6135333) is N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C\C=C(/C)CCC=C(C)C)cc1.
What is the InChIKey of N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide?
The InChIKey is BOHKKPWNPIOOBT-CQPDGHCISA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-19(24)22-18-11-9-17(10-12-18)20(25)23-21-14-13-16(4)8-6-7-15(2)3/h7,9-14H,5-6,8H2,1-4H3,(H,22,24)(H,23,25)/b16-13+,21-14-.
What are the key properties of N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide?
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide has a molecular weight of 341.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 6135333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).