N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide

C12H22N2O2 — CID 103839882

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H22N2O2/c1-5-6-7-8-11(15)13-9-12(2,16)10-14(3)4/h5-8,16H,9-10H2,1-4H3,(H,13,15)
InChIKeyFXBOHLZFRDKNNH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.55
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide (PubChem CID 103839882) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide
PubChem CID103839882
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H22N2O2/c1-5-6-7-8-11(15)13-9-12(2,16)10-14(3)4/h5-8,16H,9-10H2,1-4H3,(H,13,15)
InChIKeyFXBOHLZFRDKNNH-UHFFFAOYSA-N
XLogP0.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77113943
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 104709113
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103839582
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103840093
(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide
CID 81484728
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
CID 106146098
N-(2-hydroxy-2-methylbutyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150590728
N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
CID 77114238
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441
(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
CID 5318129
3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide
CID 91309976

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide (CID 103839882) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide?
The InChIKey is FXBOHLZFRDKNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-7-8-11(15)13-9-12(2,16)10-14(3)4/h5-8,16H,9-10H2,1-4H3,(H,13,15).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide has a molecular weight of 226.32 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide is sourced from PubChem (CID 103839882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).