tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate

C17H24Cl2N2O2 — CID 107243924

IUPACtert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)21-15(12-4-5-12)10-20-9-11-6-13(18)8-14(19)7-11/h6-8,12,15,20H,4-5,9-10H2,1-3H3,(H,21,22)
InChIKeyXDHWBKRBLWYAIB-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.39
Rot. Bonds6

About tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate (PubChem CID 107243924) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
PubChem CID107243924
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Nametert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)21-15(12-4-5-12)10-20-9-11-6-13(18)8-14(19)7-11/h6-8,12,15,20H,4-5,9-10H2,1-3H3,(H,21,22)
InChIKeyXDHWBKRBLWYAIB-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate
CID 103872203
tert-butyl N-[1-cyclopropyl-2-[(4-methoxyphenyl)methylamino]ethyl]carbamate
CID 103872184
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-1-cyclopropylethyl]carbamate
CID 107243963
tert-butyl N-[2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 107244007
tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 104879550
tert-butyl N-[1-cyclopropyl-2-[(1-propylpyrrol-3-yl)methylamino]ethyl]carbamate
CID 103527591
tert-butyl N-[1-cyclopropyl-2-[(2-fluorophenyl)methylamino]ethyl]carbamate
CID 103872299
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
CID 103872270
tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
CID 107095366
tert-butyl N-[1-cyclopropyl-2-[(3-ethylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107244046

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate (CID 107243924) is tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate is CC(C)(C)OC(=O)NC(CNCc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate?
The InChIKey is XDHWBKRBLWYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)21-15(12-4-5-12)10-20-9-11-6-13(18)8-14(19)7-11/h6-8,12,15,20H,4-5,9-10H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate has a molecular weight of 359.30 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 107243924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).