CID 174009122

C22H44BNO2 — CID 174009122

IUPAC—
SMILES[B]C(C)(CC(C)(C)NC(=O)C(C)(C)C)OC(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C22H44BNO2/c1-17(2,3)16(25)24-20(9,10)15-22(13,23)26-21(11,12)14-19(7,8)18(4,5)6/h14-15H2,1-13H3,(H,24,25)
InChIKeyKVBTYBJJHMFCLA-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.46
Rot. Bonds7

About CID 174009122

CID 174009122 (PubChem CID 174009122) has the molecular formula C22H44BNO2 and a molecular weight of 365.41 g/mol.

Molecular Properties

Compound NameCID 174009122
PubChem CID174009122
Molecular FormulaC22H44BNO2
Molecular Weight365.41 g/mol
Exact Mass365.35
IUPAC Name—
SMILES[B]C(C)(CC(C)(C)NC(=O)C(C)(C)C)OC(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C22H44BNO2/c1-17(2,3)16(25)24-20(9,10)15-22(13,23)26-21(11,12)14-19(7,8)18(4,5)6/h14-15H2,1-13H3,(H,24,25)
InChIKeyKVBTYBJJHMFCLA-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide
CID 146233535
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide
CID 166808852
3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 126603830
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
CID 88557657
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
CID 107867920
N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide
CID 130748573
2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide
CID 155260719

Frequently Asked Questions

What is the IUPAC name of CID 174009122?
The IUPAC name of CID 174009122 (CID 174009122) is not available.
What is the SMILES notation for CID 174009122?
The canonical SMILES for CID 174009122 is [B]C(C)(CC(C)(C)NC(=O)C(C)(C)C)OC(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of CID 174009122?
The InChIKey is KVBTYBJJHMFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44BNO2/c1-17(2,3)16(25)24-20(9,10)15-22(13,23)26-21(11,12)14-19(7,8)18(4,5)6/h14-15H2,1-13H3,(H,24,25).
What are the key properties of CID 174009122?
CID 174009122 has a molecular weight of 365.41 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174009122 is sourced from PubChem (CID 174009122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).