ethane;N-(3-hydroxy-2-methylpropyl)propanamide

C9H21NO2 — CID 155720922

IUPACethane;N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCC.CCC(=O)NCC(C)CO
InChIInChI=1S/C7H15NO2.C2H6/c1-3-7(10)8-4-6(2)5-9;1-2/h6,9H,3-5H2,1-2H3,(H,8,10);1-2H3
InChIKeyXKBDFELZHAGOFL-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds4

About ethane;N-(3-hydroxy-2-methylpropyl)propanamide

ethane;N-(3-hydroxy-2-methylpropyl)propanamide (PubChem CID 155720922) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;N-(3-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxy-2-methylpropyl)propanamide
PubChem CID155720922
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCC.CCC(=O)NCC(C)CO
InChIInChI=1S/C7H15NO2.C2H6/c1-3-7(10)8-4-6(2)5-9;1-2/h6,9H,3-5H2,1-2H3,(H,8,10);1-2H3
InChIKeyXKBDFELZHAGOFL-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-methylbutyl)propanamide
CID 177054062
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
N-(2-bromopropyl)propanamide
CID 87559070
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of ethane;N-(3-hydroxy-2-methylpropyl)propanamide (CID 155720922) is ethane;N-(3-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for ethane;N-(3-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for ethane;N-(3-hydroxy-2-methylpropyl)propanamide is CC.CCC(=O)NCC(C)CO.
What is the InChIKey of ethane;N-(3-hydroxy-2-methylpropyl)propanamide?
The InChIKey is XKBDFELZHAGOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-3-7(10)8-4-6(2)5-9;1-2/h6,9H,3-5H2,1-2H3,(H,8,10);1-2H3.
What are the key properties of ethane;N-(3-hydroxy-2-methylpropyl)propanamide?
ethane;N-(3-hydroxy-2-methylpropyl)propanamide has a molecular weight of 175.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 155720922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).