tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate

C24H32N2O4 — CID 167890398

IUPACtert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H32N2O4/c1-6-29-20-13-11-18(12-14-20)17(2)26-22(27)21-10-8-7-9-19(21)15-16-25-23(28)30-24(3,4)5/h7-14,17H,6,15-16H2,1-5H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyXUUFJYAKPAJDNY-QGZVFWFLSA-N
MW412.53 g/mol
LogP4.64
Rot. Bonds8

About tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate

tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate (PubChem CID 167890398) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
PubChem CID167890398
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Nametert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H32N2O4/c1-6-29-20-13-11-18(12-14-20)17(2)26-22(27)21-10-8-7-9-19(21)15-16-25-23(28)30-24(3,4)5/h7-14,17H,6,15-16H2,1-5H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyXUUFJYAKPAJDNY-QGZVFWFLSA-N
XLogP4.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167869396
tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167780378
tert-butyl N-[2-[2-[[(1R)-1-(4-cyanophenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167894250
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[[2-[1-(2-hydroxy-5-methoxyphenyl)ethylcarbamoyl]phenyl]methyl]carbamate
CID 167888687
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate
CID 102483419
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[2-[1-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 51292786
tert-butyl N-[2-[[2-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoyl]phenyl]methylamino]-2-oxoethyl]carbamate
CID 170337687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate (CID 167890398) is tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate is CCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
The InChIKey is XUUFJYAKPAJDNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-29-20-13-11-18(12-14-20)17(2)26-22(27)21-10-8-7-9-19(21)15-16-25-23(28)30-24(3,4)5/h7-14,17H,6,15-16H2,1-5H3,(H,25,28)(H,26,27)/t17-/m1/s1.
What are the key properties of tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate has a molecular weight of 412.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 167890398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).