tert-butyl N-(3-acetamidobut-3-enyl)carbamate

C11H20N2O3 — CID 139316094

IUPACtert-butyl N-(3-acetamidobut-3-enyl)carbamate
SMILESC=C(CCNC(=O)OC(C)(C)C)NC(C)=O
InChIInChI=1S/C11H20N2O3/c1-8(13-9(2)14)6-7-12-10(15)16-11(3,4)5/h1,6-7H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyDGXDSJZDCLLFOU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.55
Rot. Bonds4

About tert-butyl N-(3-acetamidobut-3-enyl)carbamate

tert-butyl N-(3-acetamidobut-3-enyl)carbamate (PubChem CID 139316094) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(3-acetamidobut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-acetamidobut-3-enyl)carbamate
PubChem CID139316094
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(3-acetamidobut-3-enyl)carbamate
SMILESC=C(CCNC(=O)OC(C)(C)C)NC(C)=O
InChIInChI=1S/C11H20N2O3/c1-8(13-9(2)14)6-7-12-10(15)16-11(3,4)5/h1,6-7H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyDGXDSJZDCLLFOU-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(acetamidomethyl)carbamate
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tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
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tert-butyl N-(3-hydroxypent-3-enyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-acetamidobut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-acetamidobut-3-enyl)carbamate (CID 139316094) is tert-butyl N-(3-acetamidobut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-acetamidobut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-acetamidobut-3-enyl)carbamate is C=C(CCNC(=O)OC(C)(C)C)NC(C)=O.
What is the InChIKey of tert-butyl N-(3-acetamidobut-3-enyl)carbamate?
The InChIKey is DGXDSJZDCLLFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(13-9(2)14)6-7-12-10(15)16-11(3,4)5/h1,6-7H2,2-5H3,(H,12,15)(H,13,14).
What are the key properties of tert-butyl N-(3-acetamidobut-3-enyl)carbamate?
tert-butyl N-(3-acetamidobut-3-enyl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-acetamidobut-3-enyl)carbamate is sourced from PubChem (CID 139316094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).