5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide

C14H21N3O3 — CID 106956198

IUPAC5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
SMILESCCC(CC)NC(=O)COc1ccc(N)cc1C(N)=O
InChIInChI=1S/C14H21N3O3/c1-3-10(4-2)17-13(18)8-20-12-6-5-9(15)7-11(12)14(16)19/h5-7,10H,3-4,8,15H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyPHOLZMAUVMZXID-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds7

About 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide

5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide (PubChem CID 106956198) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
PubChem CID106956198
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
SMILESCCC(CC)NC(=O)COc1ccc(N)cc1C(N)=O
InChIInChI=1S/C14H21N3O3/c1-3-10(4-2)17-13(18)8-20-12-6-5-9(15)7-11(12)14(16)19/h5-7,10H,3-4,8,15H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyPHOLZMAUVMZXID-UHFFFAOYSA-N
XLogP1.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
5-amino-2-butoxybenzamide
CID 61305277
2-(5-carbamothioyl-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 107656503
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide?
The IUPAC name of 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide (CID 106956198) is 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide.
What is the SMILES notation for 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide?
The canonical SMILES for 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide is CCC(CC)NC(=O)COc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide?
The InChIKey is PHOLZMAUVMZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10(4-2)17-13(18)8-20-12-6-5-9(15)7-11(12)14(16)19/h5-7,10H,3-4,8,15H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide?
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide is sourced from PubChem (CID 106956198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).