1,1-diethyl-3-heptylurea

C12H26N2O — CID 17257256

IUPAC1,1-diethyl-3-heptylurea
SMILESCCCCCCCNC(=O)N(CC)CC
InChIInChI=1S/C12H26N2O/c1-4-7-8-9-10-11-13-12(15)14(5-2)6-3/h4-11H2,1-3H3,(H,13,15)
InChIKeyAXMCXNHMCUCRPG-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.01
Rot. Bonds8

About 1,1-diethyl-3-heptylurea

1,1-diethyl-3-heptylurea (PubChem CID 17257256) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1-diethyl-3-heptylurea.

Molecular Properties

Compound Name1,1-diethyl-3-heptylurea
PubChem CID17257256
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1,1-diethyl-3-heptylurea
SMILESCCCCCCCNC(=O)N(CC)CC
InChIInChI=1S/C12H26N2O/c1-4-7-8-9-10-11-13-12(15)14(5-2)6-3/h4-11H2,1-3H3,(H,13,15)
InChIKeyAXMCXNHMCUCRPG-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-diethyl-3-heptylurea 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 1,1-diethyl-3-heptylurea?
The IUPAC name of 1,1-diethyl-3-heptylurea (CID 17257256) is 1,1-diethyl-3-heptylurea.
What is the SMILES notation for 1,1-diethyl-3-heptylurea?
The canonical SMILES for 1,1-diethyl-3-heptylurea is CCCCCCCNC(=O)N(CC)CC.
What is the InChIKey of 1,1-diethyl-3-heptylurea?
The InChIKey is AXMCXNHMCUCRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-8-9-10-11-13-12(15)14(5-2)6-3/h4-11H2,1-3H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-heptylurea?
1,1-diethyl-3-heptylurea has a molecular weight of 214.35 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-heptylurea is sourced from PubChem (CID 17257256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).