benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate

C19H24N2O4 — CID 171855969

IUPACbenzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCCc1ccc(N)c(C(O)C(O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O4/c1-2-13-8-9-16(20)15(10-13)18(23)17(22)11-21-19(24)25-12-14-6-4-3-5-7-14/h3-10,17-18,22-23H,2,11-12,20H2,1H3,(H,21,24)
InChIKeyOVSDLTMKNHNCFF-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.15
Rot. Bonds7

About benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855969) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855969
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namebenzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCCc1ccc(N)c(C(O)C(O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O4/c1-2-13-8-9-16(20)15(10-13)18(23)17(22)11-21-19(24)25-12-14-6-4-3-5-7-14/h3-10,17-18,22-23H,2,11-12,20H2,1H3,(H,21,24)
InChIKeyOVSDLTMKNHNCFF-UHFFFAOYSA-N
XLogP2.15
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855626
benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857346
3-amino-4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]benzoic acid
CID 171856383
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
4-amino-3-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]benzoic acid
CID 171888884
benzyl N-[4-(2-amino-5-bromophenyl)-3,4-dihydroxybutyl]carbamate
CID 171889522
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-methylbenzoic acid
CID 171856230
benzyl N-(2,3-dihydroxy-3-phenanthren-9-ylpropyl)carbamate
CID 171856946
benzyl N-[2,3-dihydroxy-3-(2-methylsulfonylphenyl)propyl]carbamate
CID 171856199
benzyl N-[3-(3-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857226
benzyl N-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857228

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate (CID 171855969) is benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate is CCc1ccc(N)c(C(O)C(O)CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is OVSDLTMKNHNCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-13-8-9-16(20)15(10-13)18(23)17(22)11-21-19(24)25-12-14-6-4-3-5-7-14/h3-10,17-18,22-23H,2,11-12,20H2,1H3,(H,21,24).
What are the key properties of benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).