benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate

C28H33NO5 — CID 44596383

IUPACbenzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate
SMILESCCCC(COC(c1ccc(OC)cc1)c1ccc(OC)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C28H33NO5/c1-4-8-24(29-28(30)34-19-21-9-6-5-7-10-21)20-33-27(22-11-15-25(31-2)16-12-22)23-13-17-26(32-3)18-14-23/h5-7,9-18,24,27H,4,8,19-20H2,1-3H3,(H,29,30)
InChIKeySRPGXILIPLKLPH-UHFFFAOYSA-N
MW463.57 g/mol
LogP5.90
Rot. Bonds12

About benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate

benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate (PubChem CID 44596383) has the molecular formula C28H33NO5 and a molecular weight of 463.57 g/mol. Its IUPAC name is benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate
PubChem CID44596383
Molecular FormulaC28H33NO5
Molecular Weight463.57 g/mol
Exact Mass463.24
IUPAC Namebenzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate
SMILESCCCC(COC(c1ccc(OC)cc1)c1ccc(OC)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C28H33NO5/c1-4-8-24(29-28(30)34-19-21-9-6-5-7-10-21)20-33-27(22-11-15-25(31-2)16-12-22)23-13-17-26(32-3)18-14-23/h5-7,9-18,24,27H,4,8,19-20H2,1-3H3,(H,29,30)
InChIKeySRPGXILIPLKLPH-UHFFFAOYSA-N
XLogP5.90
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
[(2S)-2-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
CID 129302825
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
benzyl N-(1-aminobutyl)carbamate
CID 3840640
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
CID 70111942
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate (CID 44596383) is benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate is CCCC(COC(c1ccc(OC)cc1)c1ccc(OC)cc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate?
The InChIKey is SRPGXILIPLKLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO5/c1-4-8-24(29-28(30)34-19-21-9-6-5-7-10-21)20-33-27(22-11-15-25(31-2)16-12-22)23-13-17-26(32-3)18-14-23/h5-7,9-18,24,27H,4,8,19-20H2,1-3H3,(H,29,30).
What are the key properties of benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate?
benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate has a molecular weight of 463.57 g/mol, XLogP of 5.90, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[bis(4-methoxyphenyl)methoxy]pentan-2-yl]carbamate is sourced from PubChem (CID 44596383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).