1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea

C19H24N4O — CID 135967851

IUPAC1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea
SMILESCCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccccc1)CCC2
InChIInChI=1S/C19H24N4O/c1-4-15-13(2)20-16-11-8-12-17(18(15)16)22-23(3)19(24)21-14-9-6-5-7-10-14/h5-7,9-10,20H,4,8,11-12H2,1-3H3,(H,21,24)/b22-17+
InChIKeyAFRYNRQDUWDRPP-OQKWZONESA-N
MW324.43 g/mol
LogP4.09
Rot. Bonds3

About 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea

1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea (PubChem CID 135967851) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea
PubChem CID135967851
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea
SMILESCCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccccc1)CCC2
InChIInChI=1S/C19H24N4O/c1-4-15-13(2)20-16-11-8-12-17(18(15)16)22-23(3)19(24)21-14-9-6-5-7-10-14/h5-7,9-10,20H,4,8,11-12H2,1-3H3,(H,21,24)/b22-17+
InChIKeyAFRYNRQDUWDRPP-OQKWZONESA-N
XLogP4.09
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea (CID 135967851) is 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea is CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccccc1)CCC2.
What is the InChIKey of 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea?
The InChIKey is AFRYNRQDUWDRPP-OQKWZONESA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-15-13(2)20-16-11-8-12-17(18(15)16)22-23(3)19(24)21-14-9-6-5-7-10-14/h5-7,9-10,20H,4,8,11-12H2,1-3H3,(H,21,24)/b22-17+.
What are the key properties of 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea?
1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea has a molecular weight of 324.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-1-methyl-3-phenylurea is sourced from PubChem (CID 135967851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).