ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate

C16H18N2O3 — CID 43703912

IUPACethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)18-14-9-7-13(8-10-14)17-11-12-5-3-4-6-15(12)19/h3-10,17,19H,2,11H2,1H3,(H,18,20)
InChIKeyRQEQLXGFWXRXDR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.57
Rot. Bonds5

About ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate

ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate (PubChem CID 43703912) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
PubChem CID43703912
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)18-14-9-7-13(8-10-14)17-11-12-5-3-4-6-15(12)19/h3-10,17,19H,2,11H2,1H3,(H,18,20)
InChIKeyRQEQLXGFWXRXDR-UHFFFAOYSA-N
XLogP3.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-phenylcarbamate;2-prop-2-enylphenol
CID 70514536
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 129011684
2-[[4-(4-methylphenyl)anilino]methyl]phenol
CID 122182729

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate (CID 43703912) is ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccccc2O)cc1.
What is the InChIKey of ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate?
The InChIKey is RQEQLXGFWXRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-16(20)18-14-9-7-13(8-10-14)17-11-12-5-3-4-6-15(12)19/h3-10,17,19H,2,11H2,1H3,(H,18,20).
What are the key properties of ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate?
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43703912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).