ethane;N-propylheptanamide

C12H27NO — CID 145289188

IUPACethane;N-propylheptanamide
SMILESCC.CCCCCCC(=O)NCCC
InChIInChI=1S/C10H21NO.C2H6/c1-3-5-6-7-8-10(12)11-9-4-2;1-2/h3-9H2,1-2H3,(H,11,12);1-2H3
InChIKeyKJOUBNIULMFJFQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.51
Rot. Bonds7

About ethane;N-propylheptanamide

ethane;N-propylheptanamide (PubChem CID 145289188) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;N-propylheptanamide.

Molecular Properties

Compound Nameethane;N-propylheptanamide
PubChem CID145289188
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;N-propylheptanamide
SMILESCC.CCCCCCC(=O)NCCC
InChIInChI=1S/C10H21NO.C2H6/c1-3-5-6-7-8-10(12)11-9-4-2;1-2/h3-9H2,1-2H3,(H,11,12);1-2H3
InChIKeyKJOUBNIULMFJFQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;N-propyldodecanamide
CID 172999662
N,N'-dipropyldecanediamide
CID 102239298
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of ethane;N-propylheptanamide?
The IUPAC name of ethane;N-propylheptanamide (CID 145289188) is ethane;N-propylheptanamide.
What is the SMILES notation for ethane;N-propylheptanamide?
The canonical SMILES for ethane;N-propylheptanamide is CC.CCCCCCC(=O)NCCC.
What is the InChIKey of ethane;N-propylheptanamide?
The InChIKey is KJOUBNIULMFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-3-5-6-7-8-10(12)11-9-4-2;1-2/h3-9H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-propylheptanamide?
ethane;N-propylheptanamide has a molecular weight of 201.35 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propylheptanamide is sourced from PubChem (CID 145289188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).