2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate

C12H17NO6 — CID 79346258

IUPAC2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCCO)cc(OC)c1OC
InChIInChI=1S/C12H17NO6/c1-16-9-6-8(13-12(15)19-5-4-14)7-10(17-2)11(9)18-3/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyRZSSXGZMHCTNIO-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.25
Rot. Bonds6

About 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate

2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate (PubChem CID 79346258) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
PubChem CID79346258
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCCO)cc(OC)c1OC
InChIInChI=1S/C12H17NO6/c1-16-9-6-8(13-12(15)19-5-4-14)7-10(17-2)11(9)18-3/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyRZSSXGZMHCTNIO-UHFFFAOYSA-N
XLogP1.25
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
3-(3,4-dimethoxyphenyl)prop-2-ynyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 101458472
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CID 13298348
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate (CID 79346258) is 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate is COc1cc(NC(=O)OCCO)cc(OC)c1OC.
What is the InChIKey of 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate?
The InChIKey is RZSSXGZMHCTNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-16-9-6-8(13-12(15)19-5-4-14)7-10(17-2)11(9)18-3/h6-7,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate?
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate has a molecular weight of 271.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate is sourced from PubChem (CID 79346258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).