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

C21H36N2O — CID 10782834

IUPAC1-methyl-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)NC
InChIInChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(24)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H2,22,23,24)/b8-7-,11-10-,14-13-,17-16-
InChIKeyJOBBYDDNTZTZMO-ZKWNWVNESA-N
MW332.53 g/mol
LogP5.67
Rot. Bonds14

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

1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea (PubChem CID 10782834) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
PubChem CID10782834
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name1-methyl-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)NC
InChIInChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(24)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H2,22,23,24)/b8-7-,11-10-,14-13-,17-16-
InChIKeyJOBBYDDNTZTZMO-ZKWNWVNESA-N
XLogP5.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.67
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-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea with MolForge

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Related Compounds

1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10316739
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
1-methyl-3-nonylurea
CID 91937244
1-octadec-9-enyl-3-propylurea
CID 85374995
2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 87644126
1-[(Z)-8-bromooct-5-enyl]-3-pentylurea
CID 89036470
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 73062866
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The IUPAC name of 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea (CID 10782834) is 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea.
What is the SMILES notation for 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The canonical SMILES for 1-methyl-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)NC.
What is the InChIKey of 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The InChIKey is JOBBYDDNTZTZMO-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(24)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H2,22,23,24)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea has a molecular weight of 332.53 g/mol, XLogP of 5.67, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea is sourced from PubChem (CID 10782834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).