tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate

C16H22Cl2N2O3 — CID 55561197

IUPACtert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-10(19-15(22)23-16(2,3)4)14(21)20(5)9-11-7-6-8-12(17)13(11)18/h6-8,10H,9H2,1-5H3,(H,19,22)
InChIKeyOZAMCGBLOCGBLN-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 55561197) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID55561197
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Nametert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-10(19-15(22)23-16(2,3)4)14(21)20(5)9-11-7-6-8-12(17)13(11)18/h6-8,10H,9H2,1-5H3,(H,19,22)
InChIKeyOZAMCGBLOCGBLN-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
CID 97359708
tert-butyl N-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 78851204
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144545
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
3-chloro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxobutyl]benzoic acid
CID 175391540
tert-butyl N-[(2S)-1-(N-(2-chlorobenzoyl)anilino)-1-oxopropan-2-yl]carbamate
CID 18646922
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799
tert-butyl N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
CID 130272618
tert-butyl 4-[(2,3-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31360992
tert-butyl N-[1-[[2-(2-chloro-6-methylanilino)-2-oxo-1-phenylethyl]-ethylamino]-1-oxopropan-2-yl]carbamate
CID 18009677

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate (CID 55561197) is tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is OZAMCGBLOCGBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-10(19-15(22)23-16(2,3)4)14(21)20(5)9-11-7-6-8-12(17)13(11)18/h6-8,10H,9H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 361.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55561197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).