(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide

C15H18N2O2 — CID 142926888

IUPAC(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide
SMILESC=C/C(OC)=C(N)\C=C(/C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-4-14(19-3)13(16)10-11(2)15(18)17-12-8-6-5-7-9-12/h4-10H,1,16H2,2-3H3,(H,17,18)/b11-10+,14-13-
InChIKeyJWWDMELJMFCQNM-SVEAWWMOSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds5

About (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide

(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide (PubChem CID 142926888) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide
PubChem CID142926888
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide
SMILESC=C/C(OC)=C(N)\C=C(/C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-4-14(19-3)13(16)10-11(2)15(18)17-12-8-6-5-7-9-12/h4-10H,1,16H2,2-3H3,(H,17,18)/b11-10+,14-13-
InChIKeyJWWDMELJMFCQNM-SVEAWWMOSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
N-[4-[(4-amino-2-methyl-4-oxobut-2-enoyl)amino]phenyl]-2-methylbut-2-enediamide
CID 54379503
(Z)-3-methyl-4-oxo-4-(4-phenylanilino)but-2-enoic acid
CID 19133057
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
CID 14383795
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
(E)-2-amino-3-(methylamino)-N-phenylprop-2-enamide
CID 118332439
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
ethenoxyethene;phenylcarbamic acid
CID 159140981
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
(E)-4-[4-(methoxymethyl)anilino]-3-methyl-4-oxobut-2-enoic acid
CID 6389910
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide?
The IUPAC name of (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide (CID 142926888) is (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide?
The canonical SMILES for (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide is C=C/C(OC)=C(N)\C=C(/C)C(=O)Nc1ccccc1.
What is the InChIKey of (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide?
The InChIKey is JWWDMELJMFCQNM-SVEAWWMOSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-14(19-3)13(16)10-11(2)15(18)17-12-8-6-5-7-9-12/h4-10H,1,16H2,2-3H3,(H,17,18)/b11-10+,14-13-.
What are the key properties of (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide?
(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide has a molecular weight of 258.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide is sourced from PubChem (CID 142926888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).