(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide

C11H21NO2 — CID 21060448

IUPAC(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide
SMILESCOCCCNC(=O)/C=C/C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-6-10(13)12-8-5-9-14-4/h6-7H,5,8-9H2,1-4H3,(H,12,13)/b7-6+
InChIKeyGQVDYUPJZMAJNL-VOTSOKGWSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds5

About (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide

(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide (PubChem CID 21060448) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide
PubChem CID21060448
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide
SMILESCOCCCNC(=O)/C=C/C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-6-10(13)12-8-5-9-14-4/h6-7H,5,8-9H2,1-4H3,(H,12,13)/b7-6+
InChIKeyGQVDYUPJZMAJNL-VOTSOKGWSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methylpropyl)pent-2-enamide
CID 21718815
2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide
CID 135080526
(E)-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
CID 21060447
3,3-Dimethyl-1,2-dihydropyridin-6-one
CID 55286441
(E)-4,4-dimethyl-N-propan-2-ylpent-2-enamide
CID 57813997
N-(3-methoxypropyl)but-2-enamide
CID 78907128
N-(3-ethoxypropyl)but-2-enamide
CID 78907171
(2E,4E)-N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
CID 88991127
(Z)-N-ethyl-4,4-dimethylpent-2-enamide
CID 89021421
N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
CID 123546180
(E)-N-(3-hydroxypropyl)pent-2-enamide
CID 127125502
(E)-N-ethyl-4,4-dimethylpent-2-enamide
CID 127126194

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide (CID 21060448) is (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide is COCCCNC(=O)/C=C/C(C)(C)C.
What is the InChIKey of (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide?
The InChIKey is GQVDYUPJZMAJNL-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)7-6-10(13)12-8-5-9-14-4/h6-7H,5,8-9H2,1-4H3,(H,12,13)/b7-6+.
What are the key properties of (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide?
(E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxypropyl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 21060448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).