N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide

C12H23NO2 — CID 89093016

IUPACN-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide
SMILESC=CCOC(CC(C)(C)C)C(=O)NCC
InChIInChI=1S/C12H23NO2/c1-6-8-15-10(9-12(3,4)5)11(14)13-7-2/h6,10H,1,7-9H2,2-5H3,(H,13,14)
InChIKeyLGRGIJCVKUKFGN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.13
Rot. Bonds6

About N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide

N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide (PubChem CID 89093016) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide
PubChem CID89093016
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide
SMILESC=CCOC(CC(C)(C)C)C(=O)NCC
InChIInChI=1S/C12H23NO2/c1-6-8-15-10(9-12(3,4)5)11(14)13-7-2/h6,10H,1,7-9H2,2-5H3,(H,13,14)
InChIKeyLGRGIJCVKUKFGN-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2-prop-2-enoxyethyl)butanamide
CID 20652814
N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide
CID 20790201
3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366278
3,3-dimethyl-N-propan-2-yl-2-prop-2-enoxybutanamide
CID 21366280
3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide
CID 21366281
4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
CID 21366282
4-methyl-N-propan-2-yl-2-prop-2-enoxypent-4-enamide
CID 21366283
N-ethyl-4-methyl-2-prop-2-enoxypent-4-enamide
CID 89093020
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide
CID 89093024
2-ethoxy-N-ethyl-4,4-dimethylpentanamide
CID 89093025
N-ethyl-4,4-dimethyl-2-propoxypentanamide
CID 89093041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
The IUPAC name of N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide (CID 89093016) is N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide is C=CCOC(CC(C)(C)C)C(=O)NCC.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
The InChIKey is LGRGIJCVKUKFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-8-15-10(9-12(3,4)5)11(14)13-7-2/h6,10H,1,7-9H2,2-5H3,(H,13,14).
What are the key properties of N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide has a molecular weight of 213.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide is sourced from PubChem (CID 89093016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).