(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide

C14H27N3O2 — CID 130435622

IUPAC(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide
SMILESCC(C)NC(=O)/C=C/CC(C)NC(=O)CCN(C)C
InChIInChI=1S/C14H27N3O2/c1-11(2)15-13(18)8-6-7-12(3)16-14(19)9-10-17(4)5/h6,8,11-12H,7,9-10H2,1-5H3,(H,15,18)(H,16,19)/b8-6+
InChIKeyCCXKLXRGGGEWPI-SOFGYWHQSA-N
MW269.39 g/mol
LogP0.91
Rot. Bonds8

About (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide

(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide (PubChem CID 130435622) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide.

Molecular Properties

Compound Name(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide
PubChem CID130435622
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide
SMILESCC(C)NC(=O)/C=C/CC(C)NC(=O)CCN(C)C
InChIInChI=1S/C14H27N3O2/c1-11(2)15-13(18)8-6-7-12(3)16-14(19)9-10-17(4)5/h6,8,11-12H,7,9-10H2,1-5H3,(H,15,18)(H,16,19)/b8-6+
InChIKeyCCXKLXRGGGEWPI-SOFGYWHQSA-N
XLogP0.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide
CID 126550702
(E)-4-(dimethylamino)-N-propan-2-ylbut-2-enamide;2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 163774916
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
CID 82851936
N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
CID 82939084
6-iodo-N-propan-2-ylhex-2-enamide
CID 139665458
N,N'-di(propan-2-yl)decanediamide
CID 58997511
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
N-[1-(dimethylamino)propan-2-yl]-5-hydroxypentanamide
CID 82949799
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
CID 59411884
CID 59411884
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536

Frequently Asked Questions

What is the IUPAC name of (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide?
The IUPAC name of (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide (CID 130435622) is (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide.
What is the SMILES notation for (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide?
The canonical SMILES for (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide is CC(C)NC(=O)/C=C/CC(C)NC(=O)CCN(C)C.
What is the InChIKey of (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide?
The InChIKey is CCXKLXRGGGEWPI-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)15-13(18)8-6-7-12(3)16-14(19)9-10-17(4)5/h6,8,11-12H,7,9-10H2,1-5H3,(H,15,18)(H,16,19)/b8-6+.
What are the key properties of (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide?
(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide has a molecular weight of 269.39 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide is sourced from PubChem (CID 130435622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).