2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide

C10H22N2O3 — CID 64913516

IUPAC2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCCC(C)O
InChIInChI=1S/C10H22N2O3/c1-8(13)4-5-11-9(2)10(14)12-6-7-15-3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyUAJPDMQFXLSMTO-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.50
Rot. Bonds8

About 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide

2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 64913516) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
PubChem CID64913516
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCCC(C)O
InChIInChI=1S/C10H22N2O3/c1-8(13)4-5-11-9(2)10(14)12-6-7-15-3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyUAJPDMQFXLSMTO-UHFFFAOYSA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2-methoxyethyl)propanamide
CID 66106825
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
CID 113407022
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
CID 107899218
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 113407032

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide (CID 64913516) is 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCCC(C)O.
What is the InChIKey of 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is UAJPDMQFXLSMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(13)4-5-11-9(2)10(14)12-6-7-15-3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide?
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 64913516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).