(Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide

C24H28N4O2 — CID 145478271

IUPAC(Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide
SMILES[H]/N=C/C(=C(/OCC1(c2ccccc2)CC1)C(=O)Nc1cccc(C)c1)N1CCNC1
InChIInChI=1S/C24H28N4O2/c1-18-6-5-9-20(14-18)27-23(29)22(21(15-25)28-13-12-26-17-28)30-16-24(10-11-24)19-7-3-2-4-8-19/h2-9,14-15,25-26H,10-13,16-17H2,1H3,(H,27,29)/b22-21-,25-15+
InChIKeyAFKFFQHZCHVCME-ZCMVGKJTSA-N
MW404.51 g/mol
LogP3.41
Rot. Bonds8

About (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide

(Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide (PubChem CID 145478271) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide
PubChem CID145478271
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide
SMILES[H]/N=C/C(=C(/OCC1(c2ccccc2)CC1)C(=O)Nc1cccc(C)c1)N1CCNC1
InChIInChI=1S/C24H28N4O2/c1-18-6-5-9-20(14-18)27-23(29)22(21(15-25)28-13-12-26-17-28)30-16-24(10-11-24)19-7-3-2-4-8-19/h2-9,14-15,25-26H,10-13,16-17H2,1H3,(H,27,29)/b22-21-,25-15+
InChIKeyAFKFFQHZCHVCME-ZCMVGKJTSA-N
XLogP3.41
TPSA77.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-bromo-4-imino-3-methyl-N-(3-methylphenyl)but-2-enamide
CID 143713446
(Z)-2-(2,3-dihydro-1H-inden-2-yloxy)-4-imino-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-phenylbut-2-enamide
CID 145478979
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea
CID 43604055
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
4-[(Z)-4-(3-chloroanilino)-3-hex-5-enoxy-1-imino-4-oxobut-2-en-2-yl]piperazine-1-sulfinate
CID 145478251
4-[(Z)-4-(3-chloroanilino)-3-hex-5-enoxy-1-imino-4-oxobut-2-en-2-yl]piperazine-1-sulfinic acid
CID 145478252
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
3-[(3-methylanilino)methyl]pyrrolidin-3-ol
CID 105459326
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide?
The IUPAC name of (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide (CID 145478271) is (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide.
What is the SMILES notation for (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide?
The canonical SMILES for (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide is [H]/N=C/C(=C(/OCC1(c2ccccc2)CC1)C(=O)Nc1cccc(C)c1)N1CCNC1.
What is the InChIKey of (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide?
The InChIKey is AFKFFQHZCHVCME-ZCMVGKJTSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-6-5-9-20(14-18)27-23(29)22(21(15-25)28-13-12-26-17-28)30-16-24(10-11-24)19-7-3-2-4-8-19/h2-9,14-15,25-26H,10-13,16-17H2,1H3,(H,27,29)/b22-21-,25-15+.
What are the key properties of (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide?
(Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide has a molecular weight of 404.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imidazolidin-1-yl-4-imino-N-(3-methylphenyl)-2-[(1-phenylcyclopropyl)methoxy]but-2-enamide is sourced from PubChem (CID 145478271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).