N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide

C10H22N2O2 — CID 79249827

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(CO)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-11-6-10(14)12-9(7-13)8(2)3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyRJDLCZPGBBGRAH-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.12
Rot. Bonds7

About N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide (PubChem CID 79249827) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
PubChem CID79249827
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(CO)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-11-6-10(14)12-9(7-13)8(2)3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyRJDLCZPGBBGRAH-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.12
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

N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79252985
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide (CID 79249827) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide is CCCNCC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide?
The InChIKey is RJDLCZPGBBGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-11-6-10(14)12-9(7-13)8(2)3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide has a molecular weight of 202.30 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide is sourced from PubChem (CID 79249827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).