N-propoxy-N-propylformamide

C7H15NO2 — CID 142120180

IUPACN-propoxy-N-propylformamide
SMILESCCCON(C=O)CCC
InChIInChI=1S/C7H15NO2/c1-3-5-8(7-9)10-6-4-2/h7H,3-6H2,1-2H3
InChIKeyZFLOQGZSFUAIQI-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.20
Rot. Bonds6

About N-propoxy-N-propylformamide

N-propoxy-N-propylformamide (PubChem CID 142120180) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-propoxy-N-propylformamide.

Molecular Properties

Compound NameN-propoxy-N-propylformamide
PubChem CID142120180
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-propoxy-N-propylformamide
SMILESCCCON(C=O)CCC
InChIInChI=1S/C7H15NO2/c1-3-5-8(7-9)10-6-4-2/h7H,3-6H2,1-2H3
InChIKeyZFLOQGZSFUAIQI-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-propylformamide
CID 54522950
N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide
CID 89066093
[(3S)-3-butoxy-5-[butoxy(formyl)amino]pentyl] dibutyl phosphate
CID 90138815
N-pentyl-N-phenylmethoxyformamide
CID 88956477
N-octadecyl-N-propoxyoctadecan-1-amine
CID 22019862
N-bromo-N-propylformamide
CID 173221456
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate
CID 87925027
S-[methyl(propyl)amino] methanethioate
CID 54385630
1-(difluoroamino)oxypropane
CID 88791453
N,N-dimethylformamide;dodecane
CID 174900991
2-[butyl(formyl)amino]ethylmercury
CID 142121724
N-hexyl-N-octylformamide
CID 169189817

Frequently Asked Questions

What is the IUPAC name of N-propoxy-N-propylformamide?
The IUPAC name of N-propoxy-N-propylformamide (CID 142120180) is N-propoxy-N-propylformamide.
What is the SMILES notation for N-propoxy-N-propylformamide?
The canonical SMILES for N-propoxy-N-propylformamide is CCCON(C=O)CCC.
What is the InChIKey of N-propoxy-N-propylformamide?
The InChIKey is ZFLOQGZSFUAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-8(7-9)10-6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-propoxy-N-propylformamide?
N-propoxy-N-propylformamide has a molecular weight of 145.20 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxy-N-propylformamide is sourced from PubChem (CID 142120180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).