1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea

C33H69N5O2 — CID 101389014

IUPAC1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
SMILESCCCCCCCCCCCCNC(=O)NCCCN(C)CCCNC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C33H69N5O2/c1-4-6-8-10-12-14-16-18-20-22-26-34-32(39)36-28-24-30-38(3)31-25-29-37-33(40)35-27-23-21-19-17-15-13-11-9-7-5-2/h4-31H2,1-3H3,(H2,34,36,39)(H2,35,37,40)
InChIKeyVLCXQDDQPBYZRV-UHFFFAOYSA-N
MW567.95 g/mol
LogP8.14
Rot. Bonds30

About 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea

1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea (PubChem CID 101389014) has the molecular formula C33H69N5O2 and a molecular weight of 567.95 g/mol. Its IUPAC name is 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea.

Molecular Properties

Compound Name1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
PubChem CID101389014
Molecular FormulaC33H69N5O2
Molecular Weight567.95 g/mol
Exact Mass567.55
IUPAC Name1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
SMILESCCCCCCCCCCCCNC(=O)NCCCN(C)CCCNC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C33H69N5O2/c1-4-6-8-10-12-14-16-18-20-22-26-34-32(39)36-28-24-30-38(3)31-25-29-37-33(40)35-27-23-21-19-17-15-13-11-9-7-5-2/h4-31H2,1-3H3,(H2,34,36,39)(H2,35,37,40)
InChIKeyVLCXQDDQPBYZRV-UHFFFAOYSA-N
XLogP8.14
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.95
LogP ≤ 58.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
1-butyl-3-octylurea
CID 17269600
1-[2-[bis[2-(octylcarbamoylamino)ethyl]amino]ethyl]-3-octylurea
CID 10555741
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
3-[butyl(methyl)amino]-N-pentadecylpropanamide
CID 58040616
1-propyl-3-tridecylurea
CID 10934987
1-[2-(dibutylamino)ethyl]-3-tetradecylurea
CID 139652310
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-(2-aminoethyl)-3-pentylurea
CID 87091814
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea?
The IUPAC name of 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea (CID 101389014) is 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea.
What is the SMILES notation for 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea?
The canonical SMILES for 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea is CCCCCCCCCCCCNC(=O)NCCCN(C)CCCNC(=O)NCCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea?
The InChIKey is VLCXQDDQPBYZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69N5O2/c1-4-6-8-10-12-14-16-18-20-22-26-34-32(39)36-28-24-30-38(3)31-25-29-37-33(40)35-27-23-21-19-17-15-13-11-9-7-5-2/h4-31H2,1-3H3,(H2,34,36,39)(H2,35,37,40).
What are the key properties of 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea?
1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea has a molecular weight of 567.95 g/mol, XLogP of 8.14, 30 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea is sourced from PubChem (CID 101389014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).