N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide

C19H23N3O3 — CID 108505286

IUPACN'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
SMILESCCOCCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C19H23N3O3/c1-2-25-14-6-13-21-18(23)19(24)22(16-7-4-3-5-8-16)17-11-9-15(20)10-12-17/h3-5,7-12H,2,6,13-14,20H2,1H3,(H,21,23)
InChIKeyHLGLVEDZSZSQSL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.48
Rot. Bonds7

About N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide

N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide (PubChem CID 108505286) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
PubChem CID108505286
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
SMILESCCOCCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C19H23N3O3/c1-2-25-14-6-13-21-18(23)19(24)22(16-7-4-3-5-8-16)17-11-9-15(20)10-12-17/h3-5,7-12H,2,6,13-14,20H2,1H3,(H,21,23)
InChIKeyHLGLVEDZSZSQSL-UHFFFAOYSA-N
XLogP2.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
CID 108504994
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide
CID 108506572
1-(4-aminophenyl)-3-(2-methoxyethoxymethyl)-1-phenylurea
CID 108894429
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate
CID 7515099
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide (CID 108505286) is N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide is CCOCCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide?
The InChIKey is HLGLVEDZSZSQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-14-6-13-21-18(23)19(24)22(16-7-4-3-5-8-16)17-11-9-15(20)10-12-17/h3-5,7-12H,2,6,13-14,20H2,1H3,(H,21,23).
What are the key properties of N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide?
N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide has a molecular weight of 341.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide is sourced from PubChem (CID 108505286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).