benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate

C22H23NO5 — CID 171856731

IUPACbenzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
SMILESCOc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H23NO5/c1-27-20-12-11-18(16-9-5-6-10-17(16)20)21(25)19(24)13-23-22(26)28-14-15-7-3-2-4-8-15/h2-12,19,21,24-25H,13-14H2,1H3,(H,23,26)
InChIKeyBFMHFCCVMMMDBR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.17
Rot. Bonds7

About benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate (PubChem CID 171856731) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
PubChem CID171856731
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
SMILESCOc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H23NO5/c1-27-20-12-11-18(16-9-5-6-10-17(16)20)21(25)19(24)13-23-22(26)28-14-15-7-3-2-4-8-15/h2-12,19,21,24-25H,13-14H2,1H3,(H,23,26)
InChIKeyBFMHFCCVMMMDBR-UHFFFAOYSA-N
XLogP3.17
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856412
benzyl N-(2,3-dihydroxy-3-phenanthren-9-ylpropyl)carbamate
CID 171856946
benzyl N-[3-(5-formyl-2,3-dimethoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857086
benzyl N-[3-(2-bromo-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857152
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-[3-(1-aminoisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856679
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[2,3-dihydroxy-3-(1-methylindol-3-yl)propyl]carbamate
CID 171857330

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate (CID 171856731) is benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate is COc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)c2ccccc12.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate?
The InChIKey is BFMHFCCVMMMDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-27-20-12-11-18(16-9-5-6-10-17(16)20)21(25)19(24)13-23-22(26)28-14-15-7-3-2-4-8-15/h2-12,19,21,24-25H,13-14H2,1H3,(H,23,26).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate has a molecular weight of 381.43 g/mol, XLogP of 3.17, 7 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-(4-methoxynaphthalen-1-yl)propyl]carbamate is sourced from PubChem (CID 171856731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).