1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea

C20H20N4O — CID 4238174

IUPAC1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
SMILESC=CCn1cc(C=NNC(=O)Nc2ccccc2C)c2ccccc21
InChIInChI=1S/C20H20N4O/c1-3-12-24-14-16(17-9-5-7-11-19(17)24)13-21-23-20(25)22-18-10-6-4-8-15(18)2/h3-11,13-14H,1,12H2,2H3,(H2,22,23,25)
InChIKeyYITLOAZFFKKRLB-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea

1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea (PubChem CID 4238174) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
PubChem CID4238174
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
SMILESC=CCn1cc(C=NNC(=O)Nc2ccccc2C)c2ccccc21
InChIInChI=1S/C20H20N4O/c1-3-12-24-14-16(17-9-5-7-11-19(17)24)13-21-23-20(25)22-18-10-6-4-8-15(18)2/h3-11,13-14H,1,12H2,2H3,(H2,22,23,25)
InChIKeyYITLOAZFFKKRLB-UHFFFAOYSA-N
XLogP4.29
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide
CID 17371861
2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
CID 154701184
2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 962771
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370420
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658957
2,4-dimethoxy-N-[(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 4595988
1-(2-methylphenyl)-3-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]urea
CID 3971614
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea (CID 4238174) is 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea is C=CCn1cc(C=NNC(=O)Nc2ccccc2C)c2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea?
The InChIKey is YITLOAZFFKKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-12-24-14-16(17-9-5-7-11-19(17)24)13-21-23-20(25)22-18-10-6-4-8-15(18)2/h3-11,13-14H,1,12H2,2H3,(H2,22,23,25).
What are the key properties of 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea has a molecular weight of 332.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea is sourced from PubChem (CID 4238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).