(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide

C19H23N3O — CID 145043426

IUPAC(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide
SMILES[H]/N=C(N)/C(=C\CC)c1ccccc1NCc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O/c1-3-6-17(19(20)21)16-7-4-5-8-18(16)22-13-14-9-11-15(23-2)12-10-14/h4-12,22H,3,13H2,1-2H3,(H3,20,21)/b17-6-
InChIKeyXLPQGZKGORRCIQ-FMQZQXMHSA-N
MW309.41 g/mol
LogP4.04
Rot. Bonds7

About (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide

(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide (PubChem CID 145043426) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide
PubChem CID145043426
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide
SMILES[H]/N=C(N)/C(=C\CC)c1ccccc1NCc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O/c1-3-6-17(19(20)21)16-7-4-5-8-18(16)22-13-14-9-11-15(23-2)12-10-14/h4-12,22H,3,13H2,1-2H3,(H3,20,21)/b17-6-
InChIKeyXLPQGZKGORRCIQ-FMQZQXMHSA-N
XLogP4.04
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708
2-(benzylamino)benzenecarboximidamide
CID 82253277
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
CID 82253370
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 16577157
ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
CID 139608521
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
1-(2-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 8627741
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide?
The IUPAC name of (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide (CID 145043426) is (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide.
What is the SMILES notation for (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide?
The canonical SMILES for (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide is [H]/N=C(N)/C(=C\CC)c1ccccc1NCc1ccc(OC)cc1.
What is the InChIKey of (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide?
The InChIKey is XLPQGZKGORRCIQ-FMQZQXMHSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-6-17(19(20)21)16-7-4-5-8-18(16)22-13-14-9-11-15(23-2)12-10-14/h4-12,22H,3,13H2,1-2H3,(H3,20,21)/b17-6-.
What are the key properties of (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide?
(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide has a molecular weight of 309.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide is sourced from PubChem (CID 145043426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).