tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate

C16H24N2O4 — CID 167266134

IUPACtert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
SMILESCOc1c(CC(=O)N(C)C)cccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-12-9-7-8-11(14(12)21-6)10-13(19)18(4)5/h7-9H,10H2,1-6H3,(H,17,20)
InChIKeySEVWCMMUNXFWHO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.67
Rot. Bonds4

About tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate

tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate (PubChem CID 167266134) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
PubChem CID167266134
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
SMILESCOc1c(CC(=O)N(C)C)cccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-12-9-7-8-11(14(12)21-6)10-13(19)18(4)5/h7-9H,10H2,1-6H3,(H,17,20)
InChIKeySEVWCMMUNXFWHO-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-3-(methylamino)phenyl]-N,N-dimethylacetamide
CID 166541108
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
CID 24763845
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[[3-[[N'-ethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-2-methoxyphenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22981272
2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
CID 166541260
2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 2757209
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
ethane;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]acetate
CID 156725209
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
CID 141432303

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate (CID 167266134) is tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate is COc1c(CC(=O)N(C)C)cccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate?
The InChIKey is SEVWCMMUNXFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-12-9-7-8-11(14(12)21-6)10-13(19)18(4)5/h7-9H,10H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate?
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 167266134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).