1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea

C18H24N4O — CID 110876822

IUPAC1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
SMILESCN1C(=CC=NNC(=O)NCC2CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-18(2)14-6-4-5-7-15(14)22(3)16(18)10-11-20-21-17(23)19-12-13-8-9-13/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,19,21,23)
InChIKeyGFLCAFBMCQCFHM-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.99
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea

1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea (PubChem CID 110876822) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
PubChem CID110876822
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
SMILESCN1C(=CC=NNC(=O)NCC2CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-18(2)14-6-4-5-7-15(14)22(3)16(18)10-11-20-21-17(23)19-12-13-8-9-13/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,19,21,23)
InChIKeyGFLCAFBMCQCFHM-UHFFFAOYSA-N
XLogP2.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea (CID 110876822) is 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea is CN1C(=CC=NNC(=O)NCC2CC2)C(C)(C)c2ccccc21.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea?
The InChIKey is GFLCAFBMCQCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2)14-6-4-5-7-15(14)22(3)16(18)10-11-20-21-17(23)19-12-13-8-9-13/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,19,21,23).
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea?
1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea has a molecular weight of 312.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea is sourced from PubChem (CID 110876822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).