N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide

C8H17NO3 — CID 115701678

IUPACN-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(C)CO
InChIInChI=1S/C8H17NO3/c1-6(5-10)4-9-8(11)7(2)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyPNDIKMPFMOERGN-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.23
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide

N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide (PubChem CID 115701678) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
PubChem CID115701678
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(C)CO
InChIInChI=1S/C8H17NO3/c1-6(5-10)4-9-8(11)7(2)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyPNDIKMPFMOERGN-UHFFFAOYSA-N
XLogP-0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-methoxypropanamide
CID 115749574
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide
CID 90248771
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
CID 130006525
2-methoxy-N-prop-2-enylpropanamide
CID 100983783

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide (CID 115701678) is N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide is COC(C)C(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide?
The InChIKey is PNDIKMPFMOERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(5-10)4-9-8(11)7(2)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide?
N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide has a molecular weight of 175.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide is sourced from PubChem (CID 115701678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).