tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane

C16H27AlClNO2 — CID 174369675

IUPACtert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane
SMILESCC[Al](Cl)CC.CN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NO2.2C2H5.Al.ClH/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10;2*1-2;;/h5-9H,1-4H3;2*1H2,2H3;;1H/q;;;+1;/p-1
InChIKeyFWVPCKQKWZLVQI-UHFFFAOYSA-M
MW327.83 g/mol
LogP5.31
Rot. Bonds3

About tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane

tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane (PubChem CID 174369675) has the molecular formula C16H27AlClNO2 and a molecular weight of 327.83 g/mol. Its IUPAC name is tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane.

Molecular Properties

Compound Nametert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane
PubChem CID174369675
Molecular FormulaC16H27AlClNO2
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Nametert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane
SMILESCC[Al](Cl)CC.CN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NO2.2C2H5.Al.ClH/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10;2*1-2;;/h5-9H,1-4H3;2*1H2,2H3;;1H/q;;;+1;/p-1
InChIKeyFWVPCKQKWZLVQI-UHFFFAOYSA-M
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.83
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
CID 145420366
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 54222238
2-[methyl-[[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]methyl]amino]acetic acid
CID 89485002
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane?
The IUPAC name of tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane (CID 174369675) is tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane.
What is the SMILES notation for tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane?
The canonical SMILES for tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane is CC[Al](Cl)CC.CN(C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane?
The InChIKey is FWVPCKQKWZLVQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO2.2C2H5.Al.ClH/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10;2*1-2;;/h5-9H,1-4H3;2*1H2,2H3;;1H/q;;;+1;/p-1.
What are the key properties of tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane?
tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane has a molecular weight of 327.83 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane is sourced from PubChem (CID 174369675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).