N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide

C12H22N2O — CID 138705035

IUPACN,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide
SMILESC/C=C\C=C(/C)C(C)NCC(=O)N(C)C
InChIInChI=1S/C12H22N2O/c1-6-7-8-10(2)11(3)13-9-12(15)14(4)5/h6-8,11,13H,9H2,1-5H3/b7-6-,10-8+
InChIKeyUODBZFTWSLVDAY-VAAURPRASA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds5

About N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide

N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide (PubChem CID 138705035) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide
PubChem CID138705035
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide
SMILESC/C=C\C=C(/C)C(C)NCC(=O)N(C)C
InChIInChI=1S/C12H22N2O/c1-6-7-8-10(2)11(3)13-9-12(15)14(4)5/h6-8,11,13H,9H2,1-5H3/b7-6-,10-8+
InChIKeyUODBZFTWSLVDAY-VAAURPRASA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide (CID 138705035) is N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide is C/C=C\C=C(/C)C(C)NCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide?
The InChIKey is UODBZFTWSLVDAY-VAAURPRASA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-7-8-10(2)11(3)13-9-12(15)14(4)5/h6-8,11,13H,9H2,1-5H3/b7-6-,10-8+.
What are the key properties of N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide?
N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide is sourced from PubChem (CID 138705035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).