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

C18H22N2O5 — CID 171856050

IUPACbenzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ccc(N)cc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O5/c1-24-16-8-7-13(19)9-14(16)17(22)15(21)10-20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,17,21-22H,10-11,19H2,1H3,(H,20,23)
InChIKeyLQFHSCZKQQGLSN-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.60
Rot. Bonds7

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

benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856050) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856050
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namebenzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ccc(N)cc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O5/c1-24-16-8-7-13(19)9-14(16)17(22)15(21)10-20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,17,21-22H,10-11,19H2,1H3,(H,20,23)
InChIKeyLQFHSCZKQQGLSN-UHFFFAOYSA-N
XLogP1.60
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856412
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857173
benzyl N-[3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857238
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3,4-dihydroxy-4-[5-(hydroxymethyl)-2-methoxyphenyl]butyl]carbamate
CID 171888716
benzyl N-[3-(5-formyl-2,3-dimethoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857086
benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
CID 171855851
methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate
CID 171857210
benzyl N-[3-(2-bromo-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857152
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-methoxybenzoic acid
CID 171856533

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 171856050) is benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is COc1ccc(N)cc1C(O)C(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is LQFHSCZKQQGLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-24-16-8-7-13(19)9-14(16)17(22)15(21)10-20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,17,21-22H,10-11,19H2,1H3,(H,20,23).
What are the key properties of benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 346.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).