[3-oxo-3-(pentylamino)propyl] formate

C9H17NO3 — CID 58262423

IUPAC[3-oxo-3-(pentylamino)propyl] formate
SMILESCCCCCNC(=O)CCOC=O
InChIInChI=1S/C9H17NO3/c1-2-3-4-6-10-9(12)5-7-13-8-11/h8H,2-7H2,1H3,(H,10,12)
InChIKeyNGSURRAGGHADNH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.86
Rot. Bonds8

About [3-oxo-3-(pentylamino)propyl] formate

[3-oxo-3-(pentylamino)propyl] formate (PubChem CID 58262423) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [3-oxo-3-(pentylamino)propyl] formate.

Molecular Properties

Compound Name[3-oxo-3-(pentylamino)propyl] formate
PubChem CID58262423
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[3-oxo-3-(pentylamino)propyl] formate
SMILESCCCCCNC(=O)CCOC=O
InChIInChI=1S/C9H17NO3/c1-2-3-4-6-10-9(12)5-7-13-8-11/h8H,2-7H2,1H3,(H,10,12)
InChIKeyNGSURRAGGHADNH-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(butylamino)-3-oxopropyl] formate
CID 57094792
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
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
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-(pentylamino)propyl] formate?
The IUPAC name of [3-oxo-3-(pentylamino)propyl] formate (CID 58262423) is [3-oxo-3-(pentylamino)propyl] formate.
What is the SMILES notation for [3-oxo-3-(pentylamino)propyl] formate?
The canonical SMILES for [3-oxo-3-(pentylamino)propyl] formate is CCCCCNC(=O)CCOC=O.
What is the InChIKey of [3-oxo-3-(pentylamino)propyl] formate?
The InChIKey is NGSURRAGGHADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-6-10-9(12)5-7-13-8-11/h8H,2-7H2,1H3,(H,10,12).
What are the key properties of [3-oxo-3-(pentylamino)propyl] formate?
[3-oxo-3-(pentylamino)propyl] formate has a molecular weight of 187.24 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-(pentylamino)propyl] formate is sourced from PubChem (CID 58262423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).