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

C15H15N3O4 — CID 108895501

IUPACN-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1cc(O)cc(O)c1)c1cccc(N)c1
InChIInChI=1S/C15H15N3O4/c1-9(19)18(12-4-2-3-10(16)5-12)15(22)17-11-6-13(20)8-14(21)7-11/h2-8,20-21H,16H2,1H3,(H,17,22)
InChIKeyCXKVGHWYFGHNPH-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.27
Rot. Bonds2

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

N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide (PubChem CID 108895501) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
PubChem CID108895501
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1cc(O)cc(O)c1)c1cccc(N)c1
InChIInChI=1S/C15H15N3O4/c1-9(19)18(12-4-2-3-10(16)5-12)15(22)17-11-6-13(20)8-14(21)7-11/h2-8,20-21H,16H2,1H3,(H,17,22)
InChIKeyCXKVGHWYFGHNPH-UHFFFAOYSA-N
XLogP2.27
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
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
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide (CID 108895501) is N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide is CC(=O)N(C(=O)Nc1cc(O)cc(O)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
The InChIKey is CXKVGHWYFGHNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9(19)18(12-4-2-3-10(16)5-12)15(22)17-11-6-13(20)8-14(21)7-11/h2-8,20-21H,16H2,1H3,(H,17,22).
What are the key properties of N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 108895501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).