3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide

C9H18N2O3 — CID 65031539

IUPAC3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCC(=O)NCCC(=O)NCC(C)CO
InChIInChI=1S/C9H18N2O3/c1-7(6-12)5-11-9(14)3-4-10-8(2)13/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyFZCFHZCQPZHUCJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.74
Rot. Bonds6

About 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide

3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide (PubChem CID 65031539) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
PubChem CID65031539
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCC(=O)NCCC(=O)NCC(C)CO
InChIInChI=1S/C9H18N2O3/c1-7(6-12)5-11-9(14)3-4-10-8(2)13/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyFZCFHZCQPZHUCJ-UHFFFAOYSA-N
XLogP-0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
CID 82682930
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide (CID 65031539) is 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide is CC(=O)NCCC(=O)NCC(C)CO.
What is the InChIKey of 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide?
The InChIKey is FZCFHZCQPZHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(6-12)5-11-9(14)3-4-10-8(2)13/h7,12H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide?
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide has a molecular weight of 202.25 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65031539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).