N-(2-methylpropoxy)-2-(propylamino)acetamide

C9H20N2O2 — CID 82722668

IUPACN-(2-methylpropoxy)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NOCC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-5-10-6-9(12)11-13-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyVCUOGDFTNNWGOI-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.69
Rot. Bonds7

About N-(2-methylpropoxy)-2-(propylamino)acetamide

N-(2-methylpropoxy)-2-(propylamino)acetamide (PubChem CID 82722668) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-methylpropoxy)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-2-(propylamino)acetamide
PubChem CID82722668
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(2-methylpropoxy)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NOCC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-5-10-6-9(12)11-13-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyVCUOGDFTNNWGOI-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)butanamide
CID 87986570
2-(tert-butylamino)-N-(2-methylpropoxy)acetamide
CID 115410316
N-[(2-methylpropan-2-yl)oxy]-2-(propylamino)acetamide
CID 82723789
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
N-methyl-2-(propylamino)acetamide
CID 28586328
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964
2-(propylamino)acetamide
CID 15839438
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
2-[4,7-bis(carboxymethyl)-10-[2-(2-methylpropoxyamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171507810

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-2-(propylamino)acetamide?
The IUPAC name of N-(2-methylpropoxy)-2-(propylamino)acetamide (CID 82722668) is N-(2-methylpropoxy)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-methylpropoxy)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-methylpropoxy)-2-(propylamino)acetamide is CCCNCC(=O)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)-2-(propylamino)acetamide?
The InChIKey is VCUOGDFTNNWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-5-10-6-9(12)11-13-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methylpropoxy)-2-(propylamino)acetamide?
N-(2-methylpropoxy)-2-(propylamino)acetamide has a molecular weight of 188.27 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-2-(propylamino)acetamide is sourced from PubChem (CID 82722668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).