N,N-dimethyl-2-prop-2-ynoxyacetamide

C7H11NO2 — CID 45087887

IUPACN,N-dimethyl-2-prop-2-ynoxyacetamide
SMILESC#CCOCC(=O)N(C)C
InChIInChI=1S/C7H11NO2/c1-4-5-10-6-7(9)8(2)3/h1H,5-6H2,2-3H3
InChIKeyJPJVLMHQOZTNAM-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.28
Rot. Bonds3

About N,N-dimethyl-2-prop-2-ynoxyacetamide

N,N-dimethyl-2-prop-2-ynoxyacetamide (PubChem CID 45087887) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N,N-dimethyl-2-prop-2-ynoxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-prop-2-ynoxyacetamide
PubChem CID45087887
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN,N-dimethyl-2-prop-2-ynoxyacetamide
SMILESC#CCOCC(=O)N(C)C
InChIInChI=1S/C7H11NO2/c1-4-5-10-6-7(9)8(2)3/h1H,5-6H2,2-3H3
InChIKeyJPJVLMHQOZTNAM-UHFFFAOYSA-N
XLogP-0.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,N-dimethylacetamide
CID 11126230
2-ethoxy-N,N-dimethylacetamide
CID 4119084
N,N-dimethyl-2-propan-2-yloxyacetamide
CID 59855792
4-O-[2-(dimethylamino)-2-oxoethyl] 1-O-methyl but-2-ynedioate
CID 11085137
N-methyl-2-(prop-2-yn-1-yloxy)acetamide
CID 55299722
2-(2-methoxyethoxy)-N,N-dimethylacetamide
CID 57453535
2-methoxy-N-methyl-N-prop-2-ynylacetamide
CID 58544119
CID 59270508
CID 59270508
2-butoxy-N,N-dimethylacetamide
CID 87275095
N,N-dimethyl-2-(2-oxopropoxy)acetamide
CID 89058534
N,N-dimethyl-2-propoxyacetamide
CID 89427267
Prop-2-ynyl 2-(dimethylamino)-2-oxoacetate
CID 139567555

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-prop-2-ynoxyacetamide?
The IUPAC name of N,N-dimethyl-2-prop-2-ynoxyacetamide (CID 45087887) is N,N-dimethyl-2-prop-2-ynoxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-prop-2-ynoxyacetamide?
The canonical SMILES for N,N-dimethyl-2-prop-2-ynoxyacetamide is C#CCOCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-prop-2-ynoxyacetamide?
The InChIKey is JPJVLMHQOZTNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5-10-6-7(9)8(2)3/h1H,5-6H2,2-3H3.
What are the key properties of N,N-dimethyl-2-prop-2-ynoxyacetamide?
N,N-dimethyl-2-prop-2-ynoxyacetamide has a molecular weight of 141.17 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-prop-2-ynoxyacetamide is sourced from PubChem (CID 45087887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).