(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide

C18H24N2O — CID 143753296

IUPAC(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide
SMILESCCC/C=C/C(=C\C=C(C)C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C18H24N2O/c1-4-5-6-8-15(12-11-14(2)3)18(21)20-17-10-7-9-16(19)13-17/h6-13H,4-5,19H2,1-3H3,(H,20,21)/b8-6+,15-12+
InChIKeyCYSQGYYUKRPVLB-QWPOMPHKSA-N
MW284.40 g/mol
LogP4.46
Rot. Bonds6

About (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide

(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide (PubChem CID 143753296) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide.

Molecular Properties

Compound Name(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide
PubChem CID143753296
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide
SMILESCCC/C=C/C(=C\C=C(C)C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C18H24N2O/c1-4-5-6-8-15(12-11-14(2)3)18(21)20-17-10-7-9-16(19)13-17/h6-13H,4-5,19H2,1-3H3,(H,20,21)/b8-6+,15-12+
InChIKeyCYSQGYYUKRPVLB-QWPOMPHKSA-N
XLogP4.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-N-(3-aminophenyl)-2-methylbutanamide
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2-(3-aminoanilino)-2-oxoacetic acid;tris(hydroxymethyl)-methylazanium
CID 70618013
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
N-(3-aminophenyl)-2-ethoxypropanamide
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N-(3-aminophenyl)-2-propylsulfonylacetamide
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N-(3-aminophenyl)-2-butylsulfanylacetamide
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N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502

Frequently Asked Questions

What is the IUPAC name of (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide?
The IUPAC name of (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide (CID 143753296) is (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide.
What is the SMILES notation for (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide?
The canonical SMILES for (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide is CCC/C=C/C(=C\C=C(C)C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide?
The InChIKey is CYSQGYYUKRPVLB-QWPOMPHKSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-5-6-8-15(12-11-14(2)3)18(21)20-17-10-7-9-16(19)13-17/h6-13H,4-5,19H2,1-3H3,(H,20,21)/b8-6+,15-12+.
What are the key properties of (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide?
(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide has a molecular weight of 284.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide is sourced from PubChem (CID 143753296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).