tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate

C15H28N2O3 — CID 71931654

IUPACtert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate
SMILESC=CCCC(=O)NCCC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-7-8-9-13(18)16-11-10-12(2)17(6)14(19)20-15(3,4)5/h7,12H,1,8-11H2,2-6H3,(H,16,18)
InChIKeyDVFBWPIGOSVXRB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds7

About tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate

tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate (PubChem CID 71931654) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate
PubChem CID71931654
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate
SMILESC=CCCC(=O)NCCC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-7-8-9-13(18)16-11-10-12(2)17(6)14(19)20-15(3,4)5/h7,12H,1,8-11H2,2-6H3,(H,16,18)
InChIKeyDVFBWPIGOSVXRB-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate (CID 71931654) is tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate is C=CCCC(=O)NCCC(C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate?
The InChIKey is DVFBWPIGOSVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-8-9-13(18)16-11-10-12(2)17(6)14(19)20-15(3,4)5/h7,12H,1,8-11H2,2-6H3,(H,16,18).
What are the key properties of tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate?
tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate is sourced from PubChem (CID 71931654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).