2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide

C16H30N2O2 — CID 163825180

IUPAC2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C/C=C/CC(C)(C)C=O)CCC
InChIInChI=1S/C16H30N2O2/c1-5-10-17-15(20)13-18(11-6-2)12-8-7-9-16(3,4)14-19/h7-8,14H,5-6,9-13H2,1-4H3,(H,17,20)/b8-7+
InChIKeyNYWBGXWQHPPHSE-BQYQJAHWSA-N
MW282.43 g/mol
LogP2.40
Rot. Bonds11

About 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide

2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide (PubChem CID 163825180) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide
PubChem CID163825180
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C/C=C/CC(C)(C)C=O)CCC
InChIInChI=1S/C16H30N2O2/c1-5-10-17-15(20)13-18(11-6-2)12-8-7-9-16(3,4)14-19/h7-8,14H,5-6,9-13H2,1-4H3,(H,17,20)/b8-7+
InChIKeyNYWBGXWQHPPHSE-BQYQJAHWSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide 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-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N-butyl-2-(dipropylamino)acetamide
CID 54817378
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide
CID 87015031
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
2-[methyl(3-oxopropyl)amino]-N-propylacetamide
CID 63040548
2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethyl-propylamino]-N-dodecylacetamide
CID 138548504
2-[2-[2-[2-[carboxymethyl(ethyl)amino]ethyl-[2-oxo-2-(propylamino)ethyl]amino]ethyl-(2-oxoethyl)amino]ethylamino]acetic acid
CID 122518440
tert-butyl 2-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-oxo-2-(propylamino)ethyl]amino]ethylamino]acetate
CID 170059250

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide (CID 163825180) is 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(C/C=C/CC(C)(C)C=O)CCC.
What is the InChIKey of 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide?
The InChIKey is NYWBGXWQHPPHSE-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-10-17-15(20)13-18(11-6-2)12-8-7-9-16(3,4)14-19/h7-8,14H,5-6,9-13H2,1-4H3,(H,17,20)/b8-7+.
What are the key properties of 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide?
2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide has a molecular weight of 282.43 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-5,5-dimethyl-6-oxohex-2-enyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 163825180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).