N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide

C12H23NO2 — CID 136588740

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide
SMILESC=C(CC(C)C)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)6-10(5)12(15)13-11(7-14)9(3)4/h8-9,11,14H,5-7H2,1-4H3,(H,13,15)/t11-/m1/s1
InChIKeyZFDMNFXXXLQRAZ-LLVKDONJSA-N
MW213.32 g/mol
LogP1.72
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide (PubChem CID 136588740) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide
PubChem CID136588740
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide
SMILESC=C(CC(C)C)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)6-10(5)12(15)13-11(7-14)9(3)4/h8-9,11,14H,5-7H2,1-4H3,(H,13,15)/t11-/m1/s1
InChIKeyZFDMNFXXXLQRAZ-LLVKDONJSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
N-tert-butyl-4-methyl-2-methylidenepentanamide
CID 135061980
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103513963
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoic acid
CID 79249096
2,6-dimethyl-4-methylideneheptan-3-one
CID 168819259
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide (CID 136588740) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide is C=C(CC(C)C)C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide?
The InChIKey is ZFDMNFXXXLQRAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)6-10(5)12(15)13-11(7-14)9(3)4/h8-9,11,14H,5-7H2,1-4H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide has a molecular weight of 213.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide is sourced from PubChem (CID 136588740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).