butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate

C15H22N2O3 — CID 87792799

IUPACbutyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)(C=NO)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-4-10-20-14(18)17-15(2,12-16-19)11-13-8-6-5-7-9-13/h5-9,12,19H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyDGVZZDSWVNDLSF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.97
Rot. Bonds7

About butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate

butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate (PubChem CID 87792799) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate
PubChem CID87792799
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebutyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)(C=NO)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-4-10-20-14(18)17-15(2,12-16-19)11-13-8-6-5-7-9-13/h5-9,12,19H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyDGVZZDSWVNDLSF-UHFFFAOYSA-N
XLogP2.97
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate?
The IUPAC name of butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate (CID 87792799) is butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate.
What is the SMILES notation for butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate?
The canonical SMILES for butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate is CCCCOC(=O)NC(C)(C=NO)Cc1ccccc1.
What is the InChIKey of butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate?
The InChIKey is DGVZZDSWVNDLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-10-20-14(18)17-15(2,12-16-19)11-13-8-6-5-7-9-13/h5-9,12,19H,3-4,10-11H2,1-2H3,(H,17,18).
What are the key properties of butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate?
butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-hydroxyimino-2-methyl-3-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 87792799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).