(E)-2-tert-butyl-N-carbamoylbut-2-enamide

C9H16N2O2 — CID 6447723

IUPAC(E)-2-tert-butyl-N-carbamoylbut-2-enamide
SMILESC/C=C(/C(=O)NC(N)=O)C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-5-6(9(2,3)4)7(12)11-8(10)13/h5H,1-4H3,(H3,10,11,12,13)/b6-5-
InChIKeyPINGGAYTIFWXIY-WAYWQWQTSA-N
MW184.24 g/mol
LogP1.17
Rot. Bonds1

About (E)-2-tert-butyl-N-carbamoylbut-2-enamide

(E)-2-tert-butyl-N-carbamoylbut-2-enamide (PubChem CID 6447723) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-2-tert-butyl-N-carbamoylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-tert-butyl-N-carbamoylbut-2-enamide
PubChem CID6447723
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(E)-2-tert-butyl-N-carbamoylbut-2-enamide
SMILESC/C=C(/C(=O)NC(N)=O)C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-5-6(9(2,3)4)7(12)11-8(10)13/h5H,1-4H3,(H3,10,11,12,13)/b6-5-
InChIKeyPINGGAYTIFWXIY-WAYWQWQTSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ectylurea
CID 5895404
(2-Ethylcrotonoyl)urea
CID 5354486
Cenestil
CID 6377520
Homeostan
CID 6438040
N-(Aminocarbonyl)-2-ethyl-2-butenamide
CID 7214
Urea, 1-(2-ethylidenevaleryl)-
CID 24847543
5,6-ditert-butyl-1H-pyrimidine-2,4-dione
CID 20658711
3-Tert-butyl-2,5-dioxopyrrole-1-carboxamide
CID 139747973
2,5-Dioxo-3-propan-2-ylpyrrole-1-carboxamide
CID 139747986
3,4-Ditert-butyl-2,5-dioxopyrrole-1-carboxamide
CID 139748004
6-amino-3-tert-butyl-1H-pyridin-2-one
CID 170003717
2-Isopropylcrotonoylurea
CID 99067

Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butyl-N-carbamoylbut-2-enamide?
The IUPAC name of (E)-2-tert-butyl-N-carbamoylbut-2-enamide (CID 6447723) is (E)-2-tert-butyl-N-carbamoylbut-2-enamide.
What is the SMILES notation for (E)-2-tert-butyl-N-carbamoylbut-2-enamide?
The canonical SMILES for (E)-2-tert-butyl-N-carbamoylbut-2-enamide is C/C=C(/C(=O)NC(N)=O)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butyl-N-carbamoylbut-2-enamide?
The InChIKey is PINGGAYTIFWXIY-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-6(9(2,3)4)7(12)11-8(10)13/h5H,1-4H3,(H3,10,11,12,13)/b6-5-.
What are the key properties of (E)-2-tert-butyl-N-carbamoylbut-2-enamide?
(E)-2-tert-butyl-N-carbamoylbut-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-N-carbamoylbut-2-enamide is sourced from PubChem (CID 6447723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).