N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide

C10H20N2O2 — CID 121391957

IUPACN-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide
SMILESC=C[C@@H](OC)[C@H](CN(C)C)NC(C)=O
InChIInChI=1S/C10H20N2O2/c1-6-10(14-5)9(7-12(3)4)11-8(2)13/h6,9-10H,1,7H2,2-5H3,(H,11,13)/t9-,10+/m0/s1
InChIKeyWSQSCYNAMGDQLL-VHSXEESVSA-N
MW200.28 g/mol
LogP0.25
Rot. Bonds6

About N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide

N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide (PubChem CID 121391957) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide
PubChem CID121391957
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide
SMILESC=C[C@@H](OC)[C@H](CN(C)C)NC(C)=O
InChIInChI=1S/C10H20N2O2/c1-6-10(14-5)9(7-12(3)4)11-8(2)13/h6,9-10H,1,7H2,2-5H3,(H,11,13)/t9-,10+/m0/s1
InChIKeyWSQSCYNAMGDQLL-VHSXEESVSA-N
XLogP0.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide (CID 121391957) is N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide is C=C[C@@H](OC)[C@H](CN(C)C)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide?
The InChIKey is WSQSCYNAMGDQLL-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-10(14-5)9(7-12(3)4)11-8(2)13/h6,9-10H,1,7H2,2-5H3,(H,11,13)/t9-,10+/m0/s1.
What are the key properties of N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide?
N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide has a molecular weight of 200.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(dimethylamino)-3-methoxypent-4-en-2-yl]acetamide is sourced from PubChem (CID 121391957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).