N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide

C17H19N3O4 — CID 108870919

IUPACN-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NC(C)Oc1ccc(O)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O4/c1-11(24-16-9-7-15(22)8-10-16)19-17(23)20(12(2)21)14-5-3-13(18)4-6-14/h3-11,22H,18H2,1-2H3,(H,19,23)
InChIKeyXKBRQQWFGCVVNG-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.46
Rot. Bonds4

About N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide

N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide (PubChem CID 108870919) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide
PubChem CID108870919
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NC(C)Oc1ccc(O)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O4/c1-11(24-16-9-7-15(22)8-10-16)19-17(23)20(12(2)21)14-5-3-13(18)4-6-14/h3-11,22H,18H2,1-2H3,(H,19,23)
InChIKeyXKBRQQWFGCVVNG-UHFFFAOYSA-N
XLogP2.46
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
CID 108867377
1,1-dibutyl-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871094
1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea
CID 108870951
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
CID 108870958
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880587
1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880655
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide (CID 108870919) is N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide is CC(=O)N(C(=O)NC(C)Oc1ccc(O)cc1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide?
The InChIKey is XKBRQQWFGCVVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(24-16-9-7-15(22)8-10-16)19-17(23)20(12(2)21)14-5-3-13(18)4-6-14/h3-11,22H,18H2,1-2H3,(H,19,23).
What are the key properties of N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide?
N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide is sourced from PubChem (CID 108870919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).