benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate

C24H25NO5 — CID 171856933

IUPACbenzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(OCc2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C24H25NO5/c26-22(15-25-24(28)30-17-19-10-5-2-6-11-19)23(27)20-12-7-13-21(14-20)29-16-18-8-3-1-4-9-18/h1-14,22-23,26-27H,15-17H2,(H,25,28)
InChIKeyIQIZXSYWXKZKNH-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.59
Rot. Bonds9

About benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate (PubChem CID 171856933) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
PubChem CID171856933
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(OCc2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C24H25NO5/c26-22(15-25-24(28)30-17-19-10-5-2-6-11-19)23(27)20-12-7-13-21(14-20)29-16-18-8-3-1-4-9-18/h1-14,22-23,26-27H,15-17H2,(H,25,28)
InChIKeyIQIZXSYWXKZKNH-UHFFFAOYSA-N
XLogP3.59
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903
benzyl N-[3-[3-(carbamothioylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856289
benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856655
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
CID 171856136
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-3-methylphenyl]propyl]carbamate
CID 171855863
benzyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856244

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate (CID 171856933) is benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate is O=C(NCC(O)C(O)c1cccc(OCc2ccccc2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate?
The InChIKey is IQIZXSYWXKZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c26-22(15-25-24(28)30-17-19-10-5-2-6-11-19)23(27)20-12-7-13-21(14-20)29-16-18-8-3-1-4-9-18/h1-14,22-23,26-27H,15-17H2,(H,25,28).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate is sourced from PubChem (CID 171856933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).