butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate

C15H26N2O3 — CID 118024510

IUPACbutyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
SMILESC=CCN(CC=C)C1COCC1NC(=O)OCCCC
InChIInChI=1S/C15H26N2O3/c1-4-7-10-20-15(18)16-13-11-19-12-14(13)17(8-5-2)9-6-3/h5-6,13-14H,2-4,7-12H2,1H3,(H,16,18)
InChIKeyPRHUFGMFWMNPQL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.95
Rot. Bonds9

About butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate

butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate (PubChem CID 118024510) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
PubChem CID118024510
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namebutyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
SMILESC=CCN(CC=C)C1COCC1NC(=O)OCCCC
InChIInChI=1S/C15H26N2O3/c1-4-7-10-20-15(18)16-13-11-19-12-14(13)17(8-5-2)9-6-3/h5-6,13-14H,2-4,7-12H2,1H3,(H,16,18)
InChIKeyPRHUFGMFWMNPQL-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate 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 butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The IUPAC name of butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate (CID 118024510) is butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate.
What is the SMILES notation for butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The canonical SMILES for butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate is C=CCN(CC=C)C1COCC1NC(=O)OCCCC.
What is the InChIKey of butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The InChIKey is PRHUFGMFWMNPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-7-10-20-15(18)16-13-11-19-12-14(13)17(8-5-2)9-6-3/h5-6,13-14H,2-4,7-12H2,1H3,(H,16,18).
What are the key properties of butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate is sourced from PubChem (CID 118024510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).