2-[methyl(3-oxopropyl)amino]-N-propylacetamide

C9H18N2O2 — CID 63040548

IUPAC2-[methyl(3-oxopropyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCC=O
InChIInChI=1S/C9H18N2O2/c1-3-5-10-9(13)8-11(2)6-4-7-12/h7H,3-6,8H2,1-2H3,(H,10,13)
InChIKeyIVKOWTBTCXNSFZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.03
Rot. Bonds7

About 2-[methyl(3-oxopropyl)amino]-N-propylacetamide

2-[methyl(3-oxopropyl)amino]-N-propylacetamide (PubChem CID 63040548) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[methyl(3-oxopropyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl(3-oxopropyl)amino]-N-propylacetamide
PubChem CID63040548
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[methyl(3-oxopropyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCC=O
InChIInChI=1S/C9H18N2O2/c1-3-5-10-9(13)8-11(2)6-4-7-12/h7H,3-6,8H2,1-2H3,(H,10,13)
InChIKeyIVKOWTBTCXNSFZ-UHFFFAOYSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 87106405
trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
CID 63703325
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 158308072
2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
CID 66221480
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
CID 63619039
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
2-[2-[[2-(hexadecylamino)-2-oxoethyl]-methylamino]ethyl-methylamino]acetic acid
CID 171721073
methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62010683

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-oxopropyl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl(3-oxopropyl)amino]-N-propylacetamide (CID 63040548) is 2-[methyl(3-oxopropyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl(3-oxopropyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl(3-oxopropyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)CCC=O.
What is the InChIKey of 2-[methyl(3-oxopropyl)amino]-N-propylacetamide?
The InChIKey is IVKOWTBTCXNSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-10-9(13)8-11(2)6-4-7-12/h7H,3-6,8H2,1-2H3,(H,10,13).
What are the key properties of 2-[methyl(3-oxopropyl)amino]-N-propylacetamide?
2-[methyl(3-oxopropyl)amino]-N-propylacetamide has a molecular weight of 186.25 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-oxopropyl)amino]-N-propylacetamide is sourced from PubChem (CID 63040548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).