N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide

C15H15N3O5 — CID 108871858

IUPACN-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1cc(O)c(O)c(O)c1)c1cccc(N)c1
InChIInChI=1S/C15H15N3O5/c1-8(19)18(11-4-2-3-9(16)5-11)15(23)17-10-6-12(20)14(22)13(21)7-10/h2-7,20-22H,16H2,1H3,(H,17,23)
InChIKeyMZCNGZZBYWCTFM-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.97
Rot. Bonds2

About N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide

N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide (PubChem CID 108871858) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
PubChem CID108871858
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1cc(O)c(O)c(O)c1)c1cccc(N)c1
InChIInChI=1S/C15H15N3O5/c1-8(19)18(11-4-2-3-9(16)5-11)15(23)17-10-6-12(20)14(22)13(21)7-10/h2-7,20-22H,16H2,1H3,(H,17,23)
InChIKeyMZCNGZZBYWCTFM-UHFFFAOYSA-N
XLogP1.97
TPSA136.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
N-(3-aminophenyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873346
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108874092
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide
CID 108902379
N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
CID 108908852
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide (CID 108871858) is N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide is CC(=O)N(C(=O)Nc1cc(O)c(O)c(O)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide?
The InChIKey is MZCNGZZBYWCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-8(19)18(11-4-2-3-9(16)5-11)15(23)17-10-6-12(20)14(22)13(21)7-10/h2-7,20-22H,16H2,1H3,(H,17,23).
What are the key properties of N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide?
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide has a molecular weight of 317.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 108871858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).