N-[2-(2-hydroxypropylamino)ethyl]butanamide

C9H20N2O2 — CID 104593451

IUPACN-[2-(2-hydroxypropylamino)ethyl]butanamide
SMILESCCCC(=O)NCCNCC(C)O
InChIInChI=1S/C9H20N2O2/c1-3-4-9(13)11-6-5-10-7-8(2)12/h8,10,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyNUOXLZYAFUBPRX-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]butanamide

N-[2-(2-hydroxypropylamino)ethyl]butanamide (PubChem CID 104593451) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]butanamide
PubChem CID104593451
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]butanamide
SMILESCCCC(=O)NCCNCC(C)O
InChIInChI=1S/C9H20N2O2/c1-3-4-9(13)11-6-5-10-7-8(2)12/h8,10,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyNUOXLZYAFUBPRX-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
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

3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593762
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]hexanamide
CID 113430445
N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
CID 113430451
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
CID 167491425
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]butanamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]butanamide (CID 104593451) is N-[2-(2-hydroxypropylamino)ethyl]butanamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]butanamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]butanamide is CCCC(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]butanamide?
The InChIKey is NUOXLZYAFUBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-9(13)11-6-5-10-7-8(2)12/h8,10,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]butanamide?
N-[2-(2-hydroxypropylamino)ethyl]butanamide has a molecular weight of 188.27 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]butanamide is sourced from PubChem (CID 104593451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).