1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea

C24H42N2O — CID 10833278

IUPAC1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCC(C)C
InChIInChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)26-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H2,25,26,27)/b9-8-,12-11-,15-14-,18-17-
InChIKeyFZOGFFNFVAADJW-GKFVBPDJSA-N
MW374.61 g/mol
LogP6.70
Rot. Bonds16

About 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea

1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea (PubChem CID 10833278) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
PubChem CID10833278
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCC(C)C
InChIInChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)26-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H2,25,26,27)/b9-8-,12-11-,15-14-,18-17-
InChIKeyFZOGFFNFVAADJW-GKFVBPDJSA-N
XLogP6.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea (CID 10833278) is 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The InChIKey is FZOGFFNFVAADJW-GKFVBPDJSA-N. The full InChI is InChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)26-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H2,25,26,27)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea has a molecular weight of 374.61 g/mol, XLogP of 6.70, 16 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea is sourced from PubChem (CID 10833278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).