2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide

C9H20N2O2 — CID 43389745

IUPAC2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCCCO
InChIInChI=1S/C9H20N2O2/c1-8(2)6-11-9(13)7-10-4-3-5-12/h8,10,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyQVAGCCLSTUWISM-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.27
Rot. Bonds7

About 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide

2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide (PubChem CID 43389745) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
PubChem CID43389745
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCCCO
InChIInChI=1S/C9H20N2O2/c1-8(2)6-11-9(13)7-10-4-3-5-12/h8,10,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyQVAGCCLSTUWISM-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
ethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]butanoate
CID 60648237
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-(4-hydroxybutylamino)-N-(3-methylbutan-2-yl)acetamide
CID 106841692
N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 79394275
potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide
CID 145204140
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954
2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
CID 106547161
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
CID 56828866
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide (CID 43389745) is 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is QVAGCCLSTUWISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)6-11-9(13)7-10-4-3-5-12/h8,10,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide?
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 188.27 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43389745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).