N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene

C22H26N2O — CID 142988885

IUPACN-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/C.Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C14H14N2O.C8H12/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15;1-4-6-7-8(3)5-2/h2-9H,15H2,1H3,(H,16,17);4-7H,2H2,1,3H3/b;6-4-,8-7-
InChIKeyDSUUKCUYMXGVGD-VJYDHVIHSA-N
MW334.46 g/mol
LogP5.52
Rot. Bonds4

About N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene

N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene (PubChem CID 142988885) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene
PubChem CID142988885
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/C.Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C14H14N2O.C8H12/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15;1-4-6-7-8(3)5-2/h2-9H,15H2,1H3,(H,16,17);4-7H,2H2,1,3H3/b;6-4-,8-7-
InChIKeyDSUUKCUYMXGVGD-VJYDHVIHSA-N
XLogP5.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2746
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CID 61408098
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-4-methylbenzamide
CID 45255726
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CID 141088053
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-(2-aminophenyl)-4-methylbenzamide;(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788196
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene?
The IUPAC name of N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene (CID 142988885) is N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene.
What is the SMILES notation for N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene?
The canonical SMILES for N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C=C/C.Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene?
The InChIKey is DSUUKCUYMXGVGD-VJYDHVIHSA-N. The full InChI is InChI=1S/C14H14N2O.C8H12/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15;1-4-6-7-8(3)5-2/h2-9H,15H2,1H3,(H,16,17);4-7H,2H2,1,3H3/b;6-4-,8-7-.
What are the key properties of N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene?
N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene has a molecular weight of 334.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-methylbenzamide;(3Z,5Z)-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 142988885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).