2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate

C17H20N2O3 — CID 177396001

IUPAC2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate
SMILESNc1ccc(CCOC(=O)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C17H20N2O3/c18-15-5-1-14(2-6-15)10-12-22-17(21)19-16-7-3-13(4-8-16)9-11-20/h1-8,20H,9-12,18H2,(H,19,21)
InChIKeySRUPXOXOLRORBL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.59
Rot. Bonds6

About 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate

2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate (PubChem CID 177396001) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate.

Molecular Properties

Compound Name2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate
PubChem CID177396001
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate
SMILESNc1ccc(CCOC(=O)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C17H20N2O3/c18-15-5-1-14(2-6-15)10-12-22-17(21)19-16-7-3-13(4-8-16)9-11-20/h1-8,20H,9-12,18H2,(H,19,21)
InChIKeySRUPXOXOLRORBL-UHFFFAOYSA-N
XLogP2.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate
CID 54414116
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
[4-[2-[4-[(2-phenylacetyl)amino]phenyl]ethoxycarbonylamino]phenyl]methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 71085684
2-hydroxyethyl N-[4-(sulfamoylmethyl)phenyl]carbamate
CID 79345608
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
CID 66721682
3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
CID 61236630
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
CID 79346617
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate?
The IUPAC name of 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate (CID 177396001) is 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate.
What is the SMILES notation for 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate?
The canonical SMILES for 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate is Nc1ccc(CCOC(=O)Nc2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate?
The InChIKey is SRUPXOXOLRORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-15-5-1-14(2-6-15)10-12-22-17(21)19-16-7-3-13(4-8-16)9-11-20/h1-8,20H,9-12,18H2,(H,19,21).
What are the key properties of 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate?
2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)ethyl N-[4-(2-hydroxyethyl)phenyl]carbamate is sourced from PubChem (CID 177396001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).