N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

C12H21N3O3 — CID 79286861

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)NCCCOC
InChIInChI=1S/C12H21N3O3/c1-4-6-13-9-12(17)15(2)10-11(16)14-7-5-8-18-3/h1,13H,5-10H2,2-3H3,(H,14,16)
InChIKeyUSCUXJKMVAWWFK-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.18
Rot. Bonds9

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 79286861) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID79286861
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)NCCCOC
InChIInChI=1S/C12H21N3O3/c1-4-6-13-9-12(17)15(2)10-11(16)14-7-5-8-18-3/h1,13H,5-10H2,2-3H3,(H,14,16)
InChIKeyUSCUXJKMVAWWFK-UHFFFAOYSA-N
XLogP-1.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 54874049
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271047
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 112722354
2-[cyanomethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715078

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (CID 79286861) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CC(=O)NCCCOC.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is USCUXJKMVAWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-6-13-9-12(17)15(2)10-11(16)14-7-5-8-18-3/h1,13H,5-10H2,2-3H3,(H,14,16).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 255.32 g/mol, XLogP of -1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).