N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide

C18H35BN2O4 — CID 164574482

IUPACN-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)N[C@@H](CC(N)=O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BN2O4/c1-15(2,3)11-16(4,5)14(23)21-12(10-13(20)22)19-24-17(6,7)18(8,9)25-19/h12H,10-11H2,1-9H3,(H2,20,22)(H,21,23)/t12-/m0/s1
InChIKeyAXDRRSOLTNBPTA-LBPRGKRZSA-N
MW354.30 g/mol
LogP2.44
Rot. Bonds6

About N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide

N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide (PubChem CID 164574482) has the molecular formula C18H35BN2O4 and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide
PubChem CID164574482
Molecular FormulaC18H35BN2O4
Molecular Weight354.30 g/mol
Exact Mass354.27
IUPAC NameN-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)N[C@@H](CC(N)=O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BN2O4/c1-15(2,3)11-16(4,5)14(23)21-12(10-13(20)22)19-24-17(6,7)18(8,9)25-19/h12H,10-11H2,1-9H3,(H2,20,22)(H,21,23)/t12-/m0/s1
InChIKeyAXDRRSOLTNBPTA-LBPRGKRZSA-N
XLogP2.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide (CID 164574482) is N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide is CC(C)(C)CC(C)(C)C(=O)N[C@@H](CC(N)=O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide?
The InChIKey is AXDRRSOLTNBPTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H35BN2O4/c1-15(2,3)11-16(4,5)14(23)21-12(10-13(20)22)19-24-17(6,7)18(8,9)25-19/h12H,10-11H2,1-9H3,(H2,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide?
N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide has a molecular weight of 354.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 164574482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).