N-(2-hydroxy-2-methylbutyl)hept-6-ynamide

C12H21NO2 — CID 103908911

IUPACN-(2-hydroxy-2-methylbutyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NCC(C)(O)CC
InChIInChI=1S/C12H21NO2/c1-4-6-7-8-9-11(14)13-10-12(3,15)5-2/h1,15H,5-10H2,2-3H3,(H,13,14)
InChIKeyICNGAJMFYZQURI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds7

About N-(2-hydroxy-2-methylbutyl)hept-6-ynamide

N-(2-hydroxy-2-methylbutyl)hept-6-ynamide (PubChem CID 103908911) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)hept-6-ynamide
PubChem CID103908911
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(2-hydroxy-2-methylbutyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NCC(C)(O)CC
InChIInChI=1S/C12H21NO2/c1-4-6-7-8-9-11(14)13-10-12(3,15)5-2/h1,15H,5-10H2,2-3H3,(H,13,14)
InChIKeyICNGAJMFYZQURI-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-2-methylbutyl)hept-6-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide
CID 113349837
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
CID 106741506
N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
CID 65114452
3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65106616
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
N',N'-dimethylhept-6-ynehydrazide
CID 163368546
N-methyloct-7-ynamide
CID 175792048
N-hydroxyhept-6-ynamide
CID 71623064
N-but-3-ynylhex-5-ynamide
CID 10630847
(Z)-N-(3,3-diaminobutyl)octadec-9-en-17-ynamide
CID 145163611
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)hept-6-ynamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)hept-6-ynamide (CID 103908911) is N-(2-hydroxy-2-methylbutyl)hept-6-ynamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)hept-6-ynamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)hept-6-ynamide is C#CCCCCC(=O)NCC(C)(O)CC.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)hept-6-ynamide?
The InChIKey is ICNGAJMFYZQURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-6-7-8-9-11(14)13-10-12(3,15)5-2/h1,15H,5-10H2,2-3H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)hept-6-ynamide?
N-(2-hydroxy-2-methylbutyl)hept-6-ynamide has a molecular weight of 211.30 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)hept-6-ynamide is sourced from PubChem (CID 103908911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).