benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate

C25H25NO6 — CID 169175352

IUPACbenzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
SMILESCOc1ccc(COc2cc(NC(=O)OCc3ccccc3)ccc2C2OCCO2)cc1
InChIInChI=1S/C25H25NO6/c1-28-21-10-7-19(8-11-21)16-31-23-15-20(9-12-22(23)24-29-13-14-30-24)26-25(27)32-17-18-5-3-2-4-6-18/h2-12,15,24H,13-14,16-17H2,1H3,(H,26,27)
InChIKeyBSCFHBAWJBTQDV-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.07
Rot. Bonds8

About benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate

benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate (PubChem CID 169175352) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
PubChem CID169175352
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Namebenzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
SMILESCOc1ccc(COc2cc(NC(=O)OCc3ccccc3)ccc2C2OCCO2)cc1
InChIInChI=1S/C25H25NO6/c1-28-21-10-7-19(8-11-21)16-31-23-15-20(9-12-22(23)24-29-13-14-30-24)26-25(27)32-17-18-5-3-2-4-6-18/h2-12,15,24H,13-14,16-17H2,1H3,(H,26,27)
InChIKeyBSCFHBAWJBTQDV-UHFFFAOYSA-N
XLogP5.07
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 169175415
[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
CID 22095150
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
methyl 3-[2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]cyclobutane-1-carboxylate
CID 176998448
2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
CID 170171124
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 169175472
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate?
The IUPAC name of benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate (CID 169175352) is benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate is COc1ccc(COc2cc(NC(=O)OCc3ccccc3)ccc2C2OCCO2)cc1.
What is the InChIKey of benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate?
The InChIKey is BSCFHBAWJBTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-28-21-10-7-19(8-11-21)16-31-23-15-20(9-12-22(23)24-29-13-14-30-24)26-25(27)32-17-18-5-3-2-4-6-18/h2-12,15,24H,13-14,16-17H2,1H3,(H,26,27).
What are the key properties of benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate?
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 169175352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).