ethane;N-(6-methylheptyl)acetamide;molecular hydrogen

C12H29NO — CID 145404699

IUPACethane;N-(6-methylheptyl)acetamide;molecular hydrogen
SMILESCC.CC(=O)NCCCCCC(C)C.[H][H]
InChIInChI=1S/C10H21NO.C2H6.H2/c1-9(2)7-5-4-6-8-11-10(3)12;1-2;/h9H,4-8H2,1-3H3,(H,11,12);1-2H3;1H
InChIKeyRQDXICGCOBNHLX-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.61
Rot. Bonds6

About ethane;N-(6-methylheptyl)acetamide;molecular hydrogen

ethane;N-(6-methylheptyl)acetamide;molecular hydrogen (PubChem CID 145404699) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is ethane;N-(6-methylheptyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(6-methylheptyl)acetamide;molecular hydrogen
PubChem CID145404699
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Nameethane;N-(6-methylheptyl)acetamide;molecular hydrogen
SMILESCC.CC(=O)NCCCCCC(C)C.[H][H]
InChIInChI=1S/C10H21NO.C2H6.H2/c1-9(2)7-5-4-6-8-11-10(3)12;1-2;/h9H,4-8H2,1-3H3,(H,11,12);1-2H3;1H
InChIKeyRQDXICGCOBNHLX-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-(6-methylheptyl)acetamide;molecular hydrogen 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

2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
CID 169159535
1-methyl-3-(7-methyloctyl)urea
CID 71899901
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N-[3-(3-methylbutylamino)propyl]acetamide
CID 82364861
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
(E)-N,N-bis(4-acetamidobutyl)-15-methylhexadec-6-enamide
CID 145453486
2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-methylheptyl)acetamide;molecular hydrogen?
The IUPAC name of ethane;N-(6-methylheptyl)acetamide;molecular hydrogen (CID 145404699) is ethane;N-(6-methylheptyl)acetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(6-methylheptyl)acetamide;molecular hydrogen?
The canonical SMILES for ethane;N-(6-methylheptyl)acetamide;molecular hydrogen is CC.CC(=O)NCCCCCC(C)C.[H][H].
What is the InChIKey of ethane;N-(6-methylheptyl)acetamide;molecular hydrogen?
The InChIKey is RQDXICGCOBNHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6.H2/c1-9(2)7-5-4-6-8-11-10(3)12;1-2;/h9H,4-8H2,1-3H3,(H,11,12);1-2H3;1H.
What are the key properties of ethane;N-(6-methylheptyl)acetamide;molecular hydrogen?
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen has a molecular weight of 203.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-methylheptyl)acetamide;molecular hydrogen is sourced from PubChem (CID 145404699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).