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

C23H30N2O4 — CID 167869396

IUPACtert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-16(17-10-12-19(28-5)13-11-17)25-21(26)20-9-7-6-8-18(20)14-15-24-22(27)29-23(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyTZQKHVVPUOONBR-MRXNPFEDSA-N
MW398.50 g/mol
LogP4.25
Rot. Bonds7

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

tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate (PubChem CID 167869396) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
PubChem CID167869396
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Nametert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-16(17-10-12-19(28-5)13-11-17)25-21(26)20-9-7-6-8-18(20)14-15-24-22(27)29-23(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyTZQKHVVPUOONBR-MRXNPFEDSA-N
XLogP4.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167890398
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
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
tert-butyl N-[[2-[1-(2-hydroxy-5-methoxyphenyl)ethylcarbamoyl]phenyl]methyl]carbamate
CID 167888687
tert-butyl N-[2-[[2-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoyl]phenyl]methylamino]-2-oxoethyl]carbamate
CID 170337687
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate
CID 102483419

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate (CID 167869396) is tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate is COc1ccc([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-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
The InChIKey is TZQKHVVPUOONBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(17-10-12-19(28-5)13-11-17)25-21(26)20-9-7-6-8-18(20)14-15-24-22(27)29-23(2,3)4/h6-13,16H,14-15H2,1-5H3,(H,24,27)(H,25,26)/t16-/m1/s1.
What are the key properties of tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate has a molecular weight of 398.50 g/mol, XLogP of 4.25, 7 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-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 167869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).