N-heptyl-N-hydroxyacetamide

C9H19NO2 — CID 71399613

IUPACN-heptyl-N-hydroxyacetamide
SMILESCCCCCCCN(O)C(C)=O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-8-10(12)9(2)11/h12H,3-8H2,1-2H3
InChIKeyWFMVIVMXCQOUAI-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.19
Rot. Bonds6

About N-heptyl-N-hydroxyacetamide

N-heptyl-N-hydroxyacetamide (PubChem CID 71399613) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-heptyl-N-hydroxyacetamide.

Molecular Properties

Compound NameN-heptyl-N-hydroxyacetamide
PubChem CID71399613
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-heptyl-N-hydroxyacetamide
SMILESCCCCCCCN(O)C(C)=O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-8-10(12)9(2)11/h12H,3-8H2,1-2H3
InChIKeyWFMVIVMXCQOUAI-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-heptyl-N-hydroxyacetamide 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-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N,N-di(icosyl)acetamide
CID 57063838
N-acetyl-N-decylacetamide
CID 57029087
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N-decyl-N-methylacetamide
CID 22114742
3-[acetyl(hydroxy)amino]propylazanium
CID 25201397
ethane;N-methyl-N-octylacetamide
CID 142531459
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
2-[5-[acetyl(hydroxy)amino]-2-oxopentyl]-7-[dodecanoyl(hydroxy)amino]-2-hydroxy-4-oxoheptanoic acid
CID 122377042

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-hydroxyacetamide?
The IUPAC name of N-heptyl-N-hydroxyacetamide (CID 71399613) is N-heptyl-N-hydroxyacetamide.
What is the SMILES notation for N-heptyl-N-hydroxyacetamide?
The canonical SMILES for N-heptyl-N-hydroxyacetamide is CCCCCCCN(O)C(C)=O.
What is the InChIKey of N-heptyl-N-hydroxyacetamide?
The InChIKey is WFMVIVMXCQOUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-7-8-10(12)9(2)11/h12H,3-8H2,1-2H3.
What are the key properties of N-heptyl-N-hydroxyacetamide?
N-heptyl-N-hydroxyacetamide has a molecular weight of 173.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-hydroxyacetamide is sourced from PubChem (CID 71399613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).