ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate

C11H16N2O4 — CID 70034657

IUPACethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(OC)c(NC)cc1O
InChIInChI=1S/C11H16N2O4/c1-4-17-11(15)13-7-6-10(16-3)8(12-2)5-9(7)14/h5-6,12,14H,4H2,1-3H3,(H,13,15)
InChIKeyVEICSQCTDJARCJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.01
Rot. Bonds4

About ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate

ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate (PubChem CID 70034657) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
PubChem CID70034657
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(OC)c(NC)cc1O
InChIInChI=1S/C11H16N2O4/c1-4-17-11(15)13-7-6-10(16-3)8(12-2)5-9(7)14/h5-6,12,14H,4H2,1-3H3,(H,13,15)
InChIKeyVEICSQCTDJARCJ-UHFFFAOYSA-N
XLogP2.01
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
CID 18006545
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
CID 70037110
ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
CID 59228675
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
CID 139715315
ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
CID 110178963
methyl N-[2-hydroxy-5-methoxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate
CID 18552108
1-[5-hydroxy-4-methoxy-2-(methylamino)phenyl]propan-1-one
CID 163275234
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate (CID 70034657) is ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate is CCOC(=O)Nc1cc(OC)c(NC)cc1O.
What is the InChIKey of ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate?
The InChIKey is VEICSQCTDJARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-11(15)13-7-6-10(16-3)8(12-2)5-9(7)14/h5-6,12,14H,4H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate?
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate has a molecular weight of 240.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate is sourced from PubChem (CID 70034657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).