benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate

C34H37NO6 — CID 68749958

IUPACbenzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
SMILESCOc1ccc(C(OCCC(O)CCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H37NO6/c1-38-31-17-13-28(14-18-31)34(27-11-7-4-8-12-27,29-15-19-32(39-2)20-16-29)41-24-22-30(36)21-23-35-33(37)40-25-26-9-5-3-6-10-26/h3-20,30,36H,21-25H2,1-2H3,(H,35,37)
InChIKeyPQXYKEVEWGWSBR-UHFFFAOYSA-N
MW555.67 g/mol
LogP6.08
Rot. Bonds14

About benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate

benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate (PubChem CID 68749958) has the molecular formula C34H37NO6 and a molecular weight of 555.67 g/mol. Its IUPAC name is benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
PubChem CID68749958
Molecular FormulaC34H37NO6
Molecular Weight555.67 g/mol
Exact Mass555.26
IUPAC Namebenzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
SMILESCOc1ccc(C(OCCC(O)CCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H37NO6/c1-38-31-17-13-28(14-18-31)34(27-11-7-4-8-12-27,29-15-19-32(39-2)20-16-29)41-24-22-30(36)21-23-35-33(37)40-25-26-9-5-3-6-10-26/h3-20,30,36H,21-25H2,1-2H3,(H,35,37)
InChIKeyPQXYKEVEWGWSBR-UHFFFAOYSA-N
XLogP6.08
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.67
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
CID 59735285
benzyl N-[(2S)-2,4-dihydroxybutyl]carbamate;benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate;dichloromethane
CID 158234775
[bis(4-methoxyphenyl)-phenylmethyl] N-(1,3-dihydroxypropan-2-yl)-3-(phenylmethoxycarbonylamino)propanimidate
CID 18396864
methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
CID 18675620
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
1,5-ditrityloxypentan-3-ol
CID 140507927

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate?
The IUPAC name of benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate (CID 68749958) is benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate.
What is the SMILES notation for benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate?
The canonical SMILES for benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate is COc1ccc(C(OCCC(O)CCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate?
The InChIKey is PQXYKEVEWGWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO6/c1-38-31-17-13-28(14-18-31)34(27-11-7-4-8-12-27,29-15-19-32(39-2)20-16-29)41-24-22-30(36)21-23-35-33(37)40-25-26-9-5-3-6-10-26/h3-20,30,36H,21-25H2,1-2H3,(H,35,37).
What are the key properties of benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate?
benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate has a molecular weight of 555.67 g/mol, XLogP of 6.08, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate is sourced from PubChem (CID 68749958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).