CID 59283937

C8H14BNO2 — CID 59283937

IUPAC—
SMILES[B]CC(=O)N(CCC)CC(C)=O
InChIInChI=1S/C8H14BNO2/c1-3-4-10(6-7(2)11)8(12)5-9/h3-6H2,1-2H3
InChIKeyBJCBUFYHUQPCBP-UHFFFAOYSA-N
MW167.02 g/mol
LogP0.40
Rot. Bonds5

About CID 59283937

CID 59283937 (PubChem CID 59283937) has the molecular formula C8H14BNO2 and a molecular weight of 167.02 g/mol.

Molecular Properties

Compound NameCID 59283937
PubChem CID59283937
Molecular FormulaC8H14BNO2
Molecular Weight167.02 g/mol
Exact Mass167.11
IUPAC Name—
SMILES[B]CC(=O)N(CCC)CC(C)=O
InChIInChI=1S/C8H14BNO2/c1-3-4-10(6-7(2)11)8(12)5-9/h3-6H2,1-2H3
InChIKeyBJCBUFYHUQPCBP-UHFFFAOYSA-N
XLogP0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.02
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxopropyl)-N-propylacetamide
CID 88778030
CID 156874754
CID 156874754
N-(2-aminoethyl)-N-(2-oxopropyl)butanamide
CID 23592986
N-(2-amino-2-oxoethyl)-N-propylbutanamide
CID 57237794
2-amino-N-[2-(dimethylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane
CID 154660474
N-(2-methylpropyl)-N-(2-oxopropyl)propanamide
CID 88936826
2-[acetyl(propyl)amino]acetic acid
CID 23279438
1-[butyl(methyl)amino]propan-2-one
CID 43219631
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998

Frequently Asked Questions

What is the IUPAC name of CID 59283937?
The IUPAC name of CID 59283937 (CID 59283937) is not available.
What is the SMILES notation for CID 59283937?
The canonical SMILES for CID 59283937 is [B]CC(=O)N(CCC)CC(C)=O.
What is the InChIKey of CID 59283937?
The InChIKey is BJCBUFYHUQPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BNO2/c1-3-4-10(6-7(2)11)8(12)5-9/h3-6H2,1-2H3.
What are the key properties of CID 59283937?
CID 59283937 has a molecular weight of 167.02 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59283937 is sourced from PubChem (CID 59283937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).