N-carbamoyloctanamide

C9H18N2O2 — CID 24740663

IUPACN-carbamoyloctanamide
SMILESCCCCCCCC(=O)NC(N)=O
InChIInChI=1S/C9H18N2O2/c1-2-3-4-5-6-7-8(12)11-9(10)13/h2-7H2,1H3,(H3,10,11,12,13)
InChIKeyPOXQLKNLEMUXAX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.54
Rot. Bonds6

About N-carbamoyloctanamide

N-carbamoyloctanamide (PubChem CID 24740663) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-carbamoyloctanamide.

Molecular Properties

Compound NameN-carbamoyloctanamide
PubChem CID24740663
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-carbamoyloctanamide
SMILESCCCCCCCC(=O)NC(N)=O
InChIInChI=1S/C9H18N2O2/c1-2-3-4-5-6-7-8(12)11-9(10)13/h2-7H2,1H3,(H3,10,11,12,13)
InChIKeyPOXQLKNLEMUXAX-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decanoyldecanamide
CID 87914075
N-octanoyloctanamide;hydrobromide
CID 175059894
(decanoylamino)urea
CID 65426818
N-acetylundecanamide
CID 18949728
N-carbamoyl-2-ethylideneheptanamide
CID 3025421
N-prop-1-en-2-ylheptanamide
CID 89354267
N-(2-methylpropanoyl)heptanamide
CID 150179955
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
(E)-N-carbamothioyloctadec-9-enamide
CID 5474176
N-carbamothioylhexadecanamide;N-carbamothioyloctadecanamide;(E)-N-carbamothioyloctadec-9-enamide;N-carbamothioyltetradecanamide
CID 5474175
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of N-carbamoyloctanamide?
The IUPAC name of N-carbamoyloctanamide (CID 24740663) is N-carbamoyloctanamide.
What is the SMILES notation for N-carbamoyloctanamide?
The canonical SMILES for N-carbamoyloctanamide is CCCCCCCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyloctanamide?
The InChIKey is POXQLKNLEMUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-3-4-5-6-7-8(12)11-9(10)13/h2-7H2,1H3,(H3,10,11,12,13).
What are the key properties of N-carbamoyloctanamide?
N-carbamoyloctanamide has a molecular weight of 186.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyloctanamide is sourced from PubChem (CID 24740663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).