N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide

C13H27NO2 — CID 107300156

IUPACN-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
SMILESCC(O)CCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(13(3,4)5)9-12(16)14-8-6-7-11(2)15/h10-11,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyMTDQELHEZNLUAL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds6

About N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide

N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide (PubChem CID 107300156) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
PubChem CID107300156
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
SMILESCC(O)CCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(13(3,4)5)9-12(16)14-8-6-7-11(2)15/h10-11,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyMTDQELHEZNLUAL-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
N-(3-cyanopropyl)-3,4,4-trimethylpentanamide
CID 63832913
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
3,6,8-trihydroxy-N-[3-(3,6,8-trihydroxynonanoylamino)propyl]nonanamide
CID 141333201
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide (CID 107300156) is N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide is CC(O)CCCNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide?
The InChIKey is MTDQELHEZNLUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(13(3,4)5)9-12(16)14-8-6-7-11(2)15/h10-11,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide?
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 107300156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).