4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide

C18H28N4O5 — CID 90278399

IUPAC4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
SMILESCCC(=O)NCCOCCOCC(=O)NCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H28N4O5/c1-2-16(23)21-9-10-26-11-12-27-13-17(24)20-7-8-22-18(25)14-3-5-15(19)6-4-14/h3-6H,2,7-13,19H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyICVFONYGDFJZIV-UHFFFAOYSA-N
MW380.45 g/mol
LogP-0.33
Rot. Bonds13

About 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide

4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide (PubChem CID 90278399) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
PubChem CID90278399
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Name4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
SMILESCCC(=O)NCCOCCOCC(=O)NCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H28N4O5/c1-2-16(23)21-9-10-26-11-12-27-13-17(24)20-7-8-22-18(25)14-3-5-15(19)6-4-14/h3-6H,2,7-13,19H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyICVFONYGDFJZIV-UHFFFAOYSA-N
XLogP-0.33
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 156883008
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108539697
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
N-[2-[2-[2-[2-[2-[2-(dimethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 134469535
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide (CID 90278399) is 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide is CCC(=O)NCCOCCOCC(=O)NCCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide?
The InChIKey is ICVFONYGDFJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-2-16(23)21-9-10-26-11-12-27-13-17(24)20-7-8-22-18(25)14-3-5-15(19)6-4-14/h3-6H,2,7-13,19H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide?
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of -0.33, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 90278399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).