tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate

C24H33NO4 — CID 173230831

IUPACtert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate
SMILESCCCOC(C)c1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33NO4/c1-6-16-27-18(2)20-9-13-22(14-10-20)28-17-15-19-7-11-21(12-8-19)25-23(26)29-24(3,4)5/h7-14,18H,6,15-17H2,1-5H3,(H,25,26)
InChIKeyCNWRTTJHLONMTA-UHFFFAOYSA-N
MW399.53 g/mol
LogP6.14
Rot. Bonds9

About tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate

tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate (PubChem CID 173230831) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate
PubChem CID173230831
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Nametert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate
SMILESCCCOC(C)c1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33NO4/c1-6-16-27-18(2)20-9-13-22(14-10-20)28-17-15-19-7-11-21(12-8-19)25-23(26)29-24(3,4)5/h7-14,18H,6,15-17H2,1-5H3,(H,25,26)
InChIKeyCNWRTTJHLONMTA-UHFFFAOYSA-N
XLogP6.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[2-[4-(2-cyano-2-ethoxyethyl)phenoxy]ethyl]phenyl]carbamate
CID 22988463
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CID 157427417
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
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tert-butyl N-[4-[2-(pentan-2-ylamino)ethoxy]phenyl]carbamate
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tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
CID 107243419
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-[4-(6-bromohexoxy)phenyl]carbamate
CID 175668643
tert-butyl N-[(2S)-1-[4-[2-[4-(4-ethylphenyl)phenyl]ethoxy]anilino]-3-hydroxy-2-methyl-1-oxopropan-2-yl]carbamate
CID 91256976
tert-butyl N-[4-(7-methyloctyl)phenyl]carbamate
CID 66988932
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate (CID 173230831) is tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate is CCCOC(C)c1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate?
The InChIKey is CNWRTTJHLONMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-6-16-27-18(2)20-9-13-22(14-10-20)28-17-15-19-7-11-21(12-8-19)25-23(26)29-24(3,4)5/h7-14,18H,6,15-17H2,1-5H3,(H,25,26).
What are the key properties of tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate has a molecular weight of 399.53 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate is sourced from PubChem (CID 173230831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).