5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide

C11H22ClNO2 — CID 62519658

IUPAC5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
SMILESCCC(CC)(CO)NC(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2/c1-3-11(4-2,9-14)13-10(15)7-5-6-8-12/h14H,3-9H2,1-2H3,(H,13,15)
InChIKeyDWTRRLGPLUVWIS-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.06
Rot. Bonds8

About 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide

5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide (PubChem CID 62519658) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
PubChem CID62519658
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
SMILESCCC(CC)(CO)NC(=O)CCCCCl
InChIInChI=1S/C11H22ClNO2/c1-3-11(4-2,9-14)13-10(15)7-5-6-8-12/h14H,3-9H2,1-2H3,(H,13,15)
InChIKeyDWTRRLGPLUVWIS-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
2-(ethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521058
3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62519982
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65105586
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide?
The IUPAC name of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide (CID 62519658) is 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide is CCC(CC)(CO)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide?
The InChIKey is DWTRRLGPLUVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-3-11(4-2,9-14)13-10(15)7-5-6-8-12/h14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide?
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide has a molecular weight of 235.75 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide is sourced from PubChem (CID 62519658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).