3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide

C16H29NO4 — CID 177062543

IUPAC3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
SMILESC=CC(=O)C(C)(C)COCC(C)(C)C(=O)NCCOCC
InChIInChI=1S/C16H29NO4/c1-7-13(18)15(3,4)11-21-12-16(5,6)14(19)17-9-10-20-8-2/h7H,1,8-12H2,2-6H3,(H,17,19)
InChIKeyBGRQHTIYEPMQAH-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.96
Rot. Bonds11

About 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide

3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide (PubChem CID 177062543) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
PubChem CID177062543
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
SMILESC=CC(=O)C(C)(C)COCC(C)(C)C(=O)NCCOCC
InChIInChI=1S/C16H29NO4/c1-7-13(18)15(3,4)11-21-12-16(5,6)14(19)17-9-10-20-8-2/h7H,1,8-12H2,2-6H3,(H,17,19)
InChIKeyBGRQHTIYEPMQAH-UHFFFAOYSA-N
XLogP1.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
CID 170223606
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
2-[2-[(3-amino-2,2-dimethylpropanoyl)amino]ethoxy]acetic acid
CID 115426845
3-(2-ethoxyethylamino)-N,2,2-trimethylpropanamide
CID 106277468
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
1-ethenyl-3-(3-ethoxypropyl)urea
CID 108909070
ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide
CID 176678762
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide (CID 177062543) is 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide is C=CC(=O)C(C)(C)COCC(C)(C)C(=O)NCCOCC.
What is the InChIKey of 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is BGRQHTIYEPMQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-7-13(18)15(3,4)11-21-12-16(5,6)14(19)17-9-10-20-8-2/h7H,1,8-12H2,2-6H3,(H,17,19).
What are the key properties of 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide?
3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 299.41 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 177062543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).