N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide

C10H18N2O2 — CID 79287394

IUPACN-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)C(C)COC
InChIInChI=1S/C10H18N2O2/c1-5-6-11-7-10(13)12(3)9(2)8-14-4/h1,9,11H,6-8H2,2-4H3
InChIKeyOOQAXCZIBGKBLB-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.30
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide

N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 79287394) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID79287394
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)C(C)COC
InChIInChI=1S/C10H18N2O2/c1-5-6-11-7-10(13)12(3)9(2)8-14-4/h1,9,11H,6-8H2,2-4H3
InChIKeyOOQAXCZIBGKBLB-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957945
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722717
ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
CID 79287392
N-(2-methoxyethoxy)-2-(prop-2-ynylamino)acetamide
CID 82723059
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119786374
4-chloro-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 63307610
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
CID 60949459
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722313

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide (CID 79287394) is N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)C(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is OOQAXCZIBGKBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-6-11-7-10(13)12(3)9(2)8-14-4/h1,9,11H,6-8H2,2-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide?
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 198.27 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).