N-(4-hydroxypentyl)-3-methylpentanamide

C11H23NO2 — CID 107300592

IUPACN-(4-hydroxypentyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCCC(C)O
InChIInChI=1S/C11H23NO2/c1-4-9(2)8-11(14)12-7-5-6-10(3)13/h9-10,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyCNDIXVPAMBWJQP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds7

About N-(4-hydroxypentyl)-3-methylpentanamide

N-(4-hydroxypentyl)-3-methylpentanamide (PubChem CID 107300592) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-3-methylpentanamide
PubChem CID107300592
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(4-hydroxypentyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCCC(C)O
InChIInChI=1S/C11H23NO2/c1-4-9(2)8-11(14)12-7-5-6-10(3)13/h9-10,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyCNDIXVPAMBWJQP-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
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

3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
N-(6-hydroxyheptyl)propanamide
CID 91284740
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-3-methylpentanamide?
The IUPAC name of N-(4-hydroxypentyl)-3-methylpentanamide (CID 107300592) is N-(4-hydroxypentyl)-3-methylpentanamide.
What is the SMILES notation for N-(4-hydroxypentyl)-3-methylpentanamide?
The canonical SMILES for N-(4-hydroxypentyl)-3-methylpentanamide is CCC(C)CC(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)-3-methylpentanamide?
The InChIKey is CNDIXVPAMBWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-9(2)8-11(14)12-7-5-6-10(3)13/h9-10,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-(4-hydroxypentyl)-3-methylpentanamide?
N-(4-hydroxypentyl)-3-methylpentanamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-3-methylpentanamide is sourced from PubChem (CID 107300592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).