tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate

C16H24NO4P — CID 90364732

IUPACtert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)CP(C)(C)=O)cc1
InChIInChI=1S/C16H24NO4P/c1-16(2,3)21-15(19)17-13-8-6-12(7-9-13)10-14(18)11-22(4,5)20/h6-9H,10-11H2,1-5H3,(H,17,19)
InChIKeySNIIMBRFCGTTAS-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.77
Rot. Bonds5

About tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate

tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate (PubChem CID 90364732) has the molecular formula C16H24NO4P and a molecular weight of 325.35 g/mol. Its IUPAC name is tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate
PubChem CID90364732
Molecular FormulaC16H24NO4P
Molecular Weight325.35 g/mol
Exact Mass325.14
IUPAC Nametert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)CP(C)(C)=O)cc1
InChIInChI=1S/C16H24NO4P/c1-16(2,3)21-15(19)17-13-8-6-12(7-9-13)10-14(18)11-22(4,5)20/h6-9H,10-11H2,1-5H3,(H,17,19)
InChIKeySNIIMBRFCGTTAS-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
3-[methyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]amino]propanoic acid
CID 170914560
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
CID 174812466
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
CID 46559187
[2-hydroxy-2-(4-methoxyphenyl)ethyl] 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetate
CID 175172011

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate (CID 90364732) is tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)CP(C)(C)=O)cc1.
What is the InChIKey of tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate?
The InChIKey is SNIIMBRFCGTTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO4P/c1-16(2,3)21-15(19)17-13-8-6-12(7-9-13)10-14(18)11-22(4,5)20/h6-9H,10-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate?
tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate has a molecular weight of 325.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate is sourced from PubChem (CID 90364732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).