tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate

C20H23ClN2O3 — CID 59689146

IUPACtert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(25)22-13-17(24)23-18(14-7-5-4-6-8-14)15-9-11-16(21)12-10-15/h4-12,18H,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRFXSFMAWHZSLDB-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate (PubChem CID 59689146) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
PubChem CID59689146
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Nametert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(25)22-13-17(24)23-18(14-7-5-4-6-8-14)15-9-11-16(21)12-10-15/h4-12,18H,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRFXSFMAWHZSLDB-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
tert-butyl N-[2-(chloromethylidene)-3-(4-chlorophenyl)butyl]carbamate
CID 173036156
tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
CID 142632500
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
CID 5022023
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
tert-butyl N-[2-(4-chlorophenyl)-3-oxopropyl]carbamate
CID 19090869

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate (CID 59689146) is tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is RFXSFMAWHZSLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(25)22-13-17(24)23-18(14-7-5-4-6-8-14)15-9-11-16(21)12-10-15/h4-12,18H,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 374.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 59689146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).