tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate

C15H20Cl2N2O3 — CID 141067660

IUPACtert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate
SMILESCC(=O)NCCN(C(=O)OC(C)(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3/c1-10(20)18-5-6-19(14(21)22-15(2,3)4)13-8-11(16)7-12(17)9-13/h7-9H,5-6H2,1-4H3,(H,18,20)
InChIKeyPNYLEHFYBBPGFM-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate

tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate (PubChem CID 141067660) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate
PubChem CID141067660
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Nametert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate
SMILESCC(=O)NCCN(C(=O)OC(C)(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3/c1-10(20)18-5-6-19(14(21)22-15(2,3)4)13-8-11(16)7-12(17)9-13/h7-9H,5-6H2,1-4H3,(H,18,20)
InChIKeyPNYLEHFYBBPGFM-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
tert-butyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060024
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246246
tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate
CID 22452892
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263
tert-butyl N-[2-(2,2,3,3,3-pentafluoropropoxycarbonylamino)ethyl]-N-phenylcarbamate
CID 54397769
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
tert-butyl N-[(3-chlorophenyl)methyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 139930735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate (CID 141067660) is tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate is CC(=O)NCCN(C(=O)OC(C)(C)C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate?
The InChIKey is PNYLEHFYBBPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-10(20)18-5-6-19(14(21)22-15(2,3)4)13-8-11(16)7-12(17)9-13/h7-9H,5-6H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate?
tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate has a molecular weight of 347.24 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-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate is sourced from PubChem (CID 141067660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).