benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate

C23H24N2O4 — CID 171856903

IUPACbenzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(Nc2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C23H24N2O4/c26-21(15-24-23(28)29-16-17-8-3-1-4-9-17)22(27)18-10-7-13-20(14-18)25-19-11-5-2-6-12-19/h1-14,21-22,25-27H,15-16H2,(H,24,28)
InChIKeyFBAFYGMIAICTCT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.75
Rot. Bonds8

About benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856903) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856903
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namebenzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(Nc2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C23H24N2O4/c26-21(15-24-23(28)29-16-17-8-3-1-4-9-17)22(27)18-10-7-13-20(14-18)25-19-11-5-2-6-12-19/h1-14,21-22,25-27H,15-16H2,(H,24,28)
InChIKeyFBAFYGMIAICTCT-UHFFFAOYSA-N
XLogP3.75
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-[3-(carbamothioylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856289
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-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856655
benzyl N-[3-(3-acetyl-4-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856245
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-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856238
benzyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856244

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate (CID 171856903) is benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1cccc(Nc2ccccc2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is FBAFYGMIAICTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(15-24-23(28)29-16-17-8-3-1-4-9-17)22(27)18-10-7-13-20(14-18)25-19-11-5-2-6-12-19/h1-14,21-22,25-27H,15-16H2,(H,24,28).
What are the key properties of benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).