3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea

C20H34N4O2 — CID 4523525

IUPAC3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCCCCCCNC(=O)N(CC=C)CC=C
InChIInChI=1S/C20H34N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-8H,1-4,9-18H2,(H,21,25)(H,22,26)
InChIKeyHOVAKXYIEVRZJG-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.31
Rot. Bonds15

About 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea

3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 4523525) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea
PubChem CID4523525
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCCCCCCNC(=O)N(CC=C)CC=C
InChIInChI=1S/C20H34N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-8H,1-4,9-18H2,(H,21,25)(H,22,26)
InChIKeyHOVAKXYIEVRZJG-UHFFFAOYSA-N
XLogP3.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea (CID 4523525) is 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NCCCCCCNC(=O)N(CC=C)CC=C.
What is the InChIKey of 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is HOVAKXYIEVRZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-8H,1-4,9-18H2,(H,21,25)(H,22,26).
What are the key properties of 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea?
3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 362.52 g/mol, XLogP of 3.31, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[bis(prop-2-enyl)carbamoylamino]hexyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 4523525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).