tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate

C14H28N2O3 — CID 103386948

IUPACtert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate
SMILESC=CCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C14H28N2O3/c1-6-9-15-12(11-18-5)8-7-10-16-13(17)19-14(2,3)4/h6,12,15H,1,7-11H2,2-5H3,(H,16,17)
InChIKeyZNTSUTBAIPTMHP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.08
Rot. Bonds9

About tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate

tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate (PubChem CID 103386948) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate
PubChem CID103386948
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate
SMILESC=CCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C14H28N2O3/c1-6-9-15-12(11-18-5)8-7-10-16-13(17)19-14(2,3)4/h6,12,15H,1,7-11H2,2-5H3,(H,16,17)
InChIKeyZNTSUTBAIPTMHP-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
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 tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]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 tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate (CID 103386948) is tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate is C=CCNC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate?
The InChIKey is ZNTSUTBAIPTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-9-15-12(11-18-5)8-7-10-16-13(17)19-14(2,3)4/h6,12,15H,1,7-11H2,2-5H3,(H,16,17).
What are the key properties of tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(prop-2-enylamino)pentyl]carbamate is sourced from PubChem (CID 103386948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).