N-cyclopropyl-3-(octylamino)propanamide

C14H28N2O — CID 79393740

IUPACN-cyclopropyl-3-(octylamino)propanamide
SMILESCCCCCCCCNCCC(=O)NC1CC1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-11-15-12-10-14(17)16-13-8-9-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeySTYRQWBUGGTLJS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.61
Rot. Bonds11

About N-cyclopropyl-3-(octylamino)propanamide

N-cyclopropyl-3-(octylamino)propanamide (PubChem CID 79393740) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(octylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(octylamino)propanamide
PubChem CID79393740
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-cyclopropyl-3-(octylamino)propanamide
SMILESCCCCCCCCNCCC(=O)NC1CC1
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-11-15-12-10-14(17)16-13-8-9-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeySTYRQWBUGGTLJS-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.61
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-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cyclobutylicosanamide
CID 10384249
N-cyclobutylhexadecanamide
CID 67041463
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(octylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(octylamino)propanamide (CID 79393740) is N-cyclopropyl-3-(octylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(octylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(octylamino)propanamide is CCCCCCCCNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(octylamino)propanamide?
The InChIKey is STYRQWBUGGTLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-11-15-12-10-14(17)16-13-8-9-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-3-(octylamino)propanamide?
N-cyclopropyl-3-(octylamino)propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(octylamino)propanamide is sourced from PubChem (CID 79393740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).