N-[ethyl-(propanoylamino)boranyl]propanamide

C8H17BN2O2 — CID 87079634

IUPACN-[ethyl-(propanoylamino)boranyl]propanamide
SMILESCCB(NC(=O)CC)NC(=O)CC
InChIInChI=1S/C8H17BN2O2/c1-4-7(12)10-9(6-3)11-8(13)5-2/h4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyFDTOZWLZBFTNEZ-UHFFFAOYSA-N
MW184.05 g/mol
LogP0.55
Rot. Bonds5

About N-[ethyl-(propanoylamino)boranyl]propanamide

N-[ethyl-(propanoylamino)boranyl]propanamide (PubChem CID 87079634) has the molecular formula C8H17BN2O2 and a molecular weight of 184.05 g/mol. Its IUPAC name is N-[ethyl-(propanoylamino)boranyl]propanamide.

Molecular Properties

Compound NameN-[ethyl-(propanoylamino)boranyl]propanamide
PubChem CID87079634
Molecular FormulaC8H17BN2O2
Molecular Weight184.05 g/mol
Exact Mass184.14
IUPAC NameN-[ethyl-(propanoylamino)boranyl]propanamide
SMILESCCB(NC(=O)CC)NC(=O)CC
InChIInChI=1S/C8H17BN2O2/c1-4-7(12)10-9(6-3)11-8(13)5-2/h4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyFDTOZWLZBFTNEZ-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-difluoroboranylpropanamide
CID 174891306
N-methylpropanamide;propane
CID 91316585
N-(2-oxopropyl)propanamide
CID 23550155
propane;propan-2-one
CID 90822370
N-(3-methylbut-1-en-2-yl)propanamide
CID 144633988
butan-2-one;ethane;propane
CID 169173049
N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556
N-bromopropanamide
CID 15647963
N-(3-oxobutan-2-yl)propanamide
CID 22943760
propanehydrazide;dihydrochloride
CID 121342206
CID 160664038
CID 160664038
ethane;propanehydrazide
CID 143310399

Frequently Asked Questions

What is the IUPAC name of N-[ethyl-(propanoylamino)boranyl]propanamide?
The IUPAC name of N-[ethyl-(propanoylamino)boranyl]propanamide (CID 87079634) is N-[ethyl-(propanoylamino)boranyl]propanamide.
What is the SMILES notation for N-[ethyl-(propanoylamino)boranyl]propanamide?
The canonical SMILES for N-[ethyl-(propanoylamino)boranyl]propanamide is CCB(NC(=O)CC)NC(=O)CC.
What is the InChIKey of N-[ethyl-(propanoylamino)boranyl]propanamide?
The InChIKey is FDTOZWLZBFTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BN2O2/c1-4-7(12)10-9(6-3)11-8(13)5-2/h4-6H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-[ethyl-(propanoylamino)boranyl]propanamide?
N-[ethyl-(propanoylamino)boranyl]propanamide has a molecular weight of 184.05 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-(propanoylamino)boranyl]propanamide is sourced from PubChem (CID 87079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).