tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate

C23H31NO4 — CID 175489677

IUPACtert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate
SMILESCC(COCc1ccccc1)(COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H31NO4/c1-22(2,3)28-21(25)24-23(4,17-26-15-19-11-7-5-8-12-19)18-27-16-20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3,(H,24,25)
InChIKeyCKOSGBOOZKWKFC-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.70
Rot. Bonds9

About tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate

tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate (PubChem CID 175489677) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate
PubChem CID175489677
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Nametert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate
SMILESCC(COCc1ccccc1)(COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H31NO4/c1-22(2,3)28-21(25)24-23(4,17-26-15-19-11-7-5-8-12-19)18-27-16-20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3,(H,24,25)
InChIKeyCKOSGBOOZKWKFC-UHFFFAOYSA-N
XLogP4.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3090849
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CID 383591
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CID 79648
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CID 12325553
CID 12325553
CID 44373569
CID 44373569
CID 111070
CID 111070
CID 9966575
CID 9966575
CID 11065873
CID 11065873
CID 11002115
CID 11002115
CID 11832706
CID 11832706
CID 14629315
CID 14629315
CID 72790463
CID 72790463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate (CID 175489677) is tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate is CC(COCc1ccccc1)(COCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate?
The InChIKey is CKOSGBOOZKWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-22(2,3)28-21(25)24-23(4,17-26-15-19-11-7-5-8-12-19)18-27-16-20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3,(H,24,25).
What are the key properties of tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate has a molecular weight of 385.50 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1,3-bis(phenylmethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 175489677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).