3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide

C19H20N4O2 — CID 90699316

IUPAC3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide
SMILESC=C(/N=C(C(=O)Nc1ccccc1)\C(N)=N\C)c1ccc(OC)cc1
InChIInChI=1S/C19H20N4O2/c1-13(14-9-11-16(25-3)12-10-14)22-17(18(20)21-2)19(24)23-15-7-5-4-6-8-15/h4-12H,1H2,2-3H3,(H2,20,21)(H,23,24)/b22-17+
InChIKeyKHRSDQLLWSVJFG-OQKWZONESA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds6

About 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide

3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide (PubChem CID 90699316) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide
PubChem CID90699316
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide
SMILESC=C(/N=C(C(=O)Nc1ccccc1)\C(N)=N\C)c1ccc(OC)cc1
InChIInChI=1S/C19H20N4O2/c1-13(14-9-11-16(25-3)12-10-14)22-17(18(20)21-2)19(24)23-15-7-5-4-6-8-15/h4-12H,1H2,2-3H3,(H2,20,21)(H,23,24)/b22-17+
InChIKeyKHRSDQLLWSVJFG-OQKWZONESA-N
XLogP2.73
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-[4-(dimethylamino)phenyl]ethenyl]-1-(4-methoxyphenyl)guanidine
CID 142010963
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
CID 58710916
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
2-deuterio-4-methoxy-N-phenylbenzamide
CID 141045741
1-[1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-phenylurea
CID 3710651
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide?
The IUPAC name of 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide (CID 90699316) is 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide.
What is the SMILES notation for 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide?
The canonical SMILES for 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide is C=C(/N=C(C(=O)Nc1ccccc1)\C(N)=N\C)c1ccc(OC)cc1.
What is the InChIKey of 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide?
The InChIKey is KHRSDQLLWSVJFG-OQKWZONESA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(14-9-11-16(25-3)12-10-14)22-17(18(20)21-2)19(24)23-15-7-5-4-6-8-15/h4-12H,1H2,2-3H3,(H2,20,21)(H,23,24)/b22-17+.
What are the key properties of 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide?
3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(4-methoxyphenyl)ethenylimino]-3-methylimino-N-phenylpropanamide is sourced from PubChem (CID 90699316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).