tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate

C24H31NO3 — CID 163885984

IUPACtert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)CC1(COCc2ccccc2)CC1
InChIInChI=1S/C24H31NO3/c1-23(2,3)28-22(26)25(16-20-10-6-4-7-11-20)18-24(14-15-24)19-27-17-21-12-8-5-9-13-21/h4-13H,14-19H2,1-3H3
InChIKeyPXIDDRCUADWOSC-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.42
Rot. Bonds8

About tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate

tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate (PubChem CID 163885984) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate
PubChem CID163885984
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nametert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)CC1(COCc2ccccc2)CC1
InChIInChI=1S/C24H31NO3/c1-23(2,3)28-22(26)25(16-20-10-6-4-7-11-20)18-24(14-15-24)19-27-17-21-12-8-5-9-13-21/h4-13H,14-19H2,1-3H3
InChIKeyPXIDDRCUADWOSC-UHFFFAOYSA-N
XLogP5.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
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CID 140972219
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
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tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
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tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-[(4-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
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5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate (CID 163885984) is tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)CC1(COCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate?
The InChIKey is PXIDDRCUADWOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-23(2,3)28-22(26)25(16-20-10-6-4-7-11-20)18-24(14-15-24)19-27-17-21-12-8-5-9-13-21/h4-13H,14-19H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate?
tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate has a molecular weight of 381.52 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 163885984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).