N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide

C13H25NO2 — CID 123322843

IUPACN-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide
SMILESCCCCN(CCCC(C)=CCO)C(C)=O
InChIInChI=1S/C13H25NO2/c1-4-5-9-14(13(3)16)10-6-7-12(2)8-11-15/h8,15H,4-7,9-11H2,1-3H3
InChIKeyUKOOUHNMQPEYNK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds8

About N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide

N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide (PubChem CID 123322843) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide
PubChem CID123322843
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide
SMILESCCCCN(CCCC(C)=CCO)C(C)=O
InChIInChI=1S/C13H25NO2/c1-4-5-9-14(13(3)16)10-6-7-12(2)8-11-15/h8,15H,4-7,9-11H2,1-3H3
InChIKeyUKOOUHNMQPEYNK-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-10-(dimethylamino)-3,7-dimethyldeca-2,6-dien-1-ol
CID 44440585
(2E,6E)-10-(dimethylamino)-3,7-dimethyl-deca-2,6-dien-1-ol
CID 16729182
10-(Dimethylamino)-3,7-dimethyldeca-2,6-dien-1-ol
CID 73313332
10-hydroxy-N,4,8-trimethyl-N-prop-2-enyldeca-4,8-dienamide
CID 54007390
N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
CID 54058567
1-Ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one
CID 56625241
(Z,E)-N,N-diethyl-8-hydroxy-3,7-dimethyl-2,6-octadienamide
CID 86736490
(4E,8E)-10-hydroxy-N,4,8-trimethyl-N-prop-2-enyldeca-4,8-dienamide
CID 88184375
N-butyl-N-[(E)-6-hydroxy-4-methylhex-4-enyl]acetamide
CID 88547652
(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
CID 88779024
2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
CID 123934489
(Z)-N-hexyl-5-hydroxy-N-sulfanylpent-3-enamide
CID 129054129

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide?
The IUPAC name of N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide (CID 123322843) is N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide.
What is the SMILES notation for N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide?
The canonical SMILES for N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide is CCCCN(CCCC(C)=CCO)C(C)=O.
What is the InChIKey of N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide?
The InChIKey is UKOOUHNMQPEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-9-14(13(3)16)10-6-7-12(2)8-11-15/h8,15H,4-7,9-11H2,1-3H3.
What are the key properties of N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide?
N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide is sourced from PubChem (CID 123322843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).