N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide

C11H15N3O4 — CID 108895560

IUPACN-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H15N3O4/c1-7(15)14(3-2-12)11(18)13-8-4-9(16)6-10(17)5-8/h4-6,16-17H,2-3,12H2,1H3,(H,13,18)
InChIKeyWGHUPRWJIUCLOO-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.44
Rot. Bonds3

About N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide (PubChem CID 108895560) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
PubChem CID108895560
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C11H15N3O4/c1-7(15)14(3-2-12)11(18)13-8-4-9(16)6-10(17)5-8/h4-6,16-17H,2-3,12H2,1H3,(H,13,18)
InChIKeyWGHUPRWJIUCLOO-UHFFFAOYSA-N
XLogP0.44
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
CID 108869300
N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884864
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]carbamate
CID 108872024
N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873405
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
N-(2-aminoethyl)-N-[(2,6-dimethoxyphenyl)carbamoyl]acetamide
CID 108868017
N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
CID 108887446
N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
CID 108812739
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate
CID 108866806
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
CID 108866518

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide (CID 108895560) is N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1cc(O)cc(O)c1.
What is the InChIKey of N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
The InChIKey is WGHUPRWJIUCLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(15)14(3-2-12)11(18)13-8-4-9(16)6-10(17)5-8/h4-6,16-17H,2-3,12H2,1H3,(H,13,18).
What are the key properties of N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide has a molecular weight of 253.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 108895560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).