5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide

C15H23N3O3 — CID 106956230

IUPAC5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(N)cc1C(N)=O
InChIInChI=1S/C15H23N3O3/c1-3-4-5-8-18-15(20)10(2)21-13-7-6-11(16)9-12(13)14(17)19/h6-7,9-10H,3-5,8,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyXQHHTVOFPWWXGA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.44
Rot. Bonds8

About 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide

5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide (PubChem CID 106956230) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide.

Molecular Properties

Compound Name5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
PubChem CID106956230
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(N)cc1C(N)=O
InChIInChI=1S/C15H23N3O3/c1-3-4-5-8-18-15(20)10(2)21-13-7-6-11(16)9-12(13)14(17)19/h6-7,9-10H,3-5,8,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyXQHHTVOFPWWXGA-UHFFFAOYSA-N
XLogP1.44
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021
2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 43113670
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
5-amino-2-butoxybenzamide
CID 61305277
2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
3-methyl-4-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 107673696
2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
CID 61268838
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
CID 61388884

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide?
The IUPAC name of 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide (CID 106956230) is 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide.
What is the SMILES notation for 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide?
The canonical SMILES for 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide is CCCCCNC(=O)C(C)Oc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide?
The InChIKey is XQHHTVOFPWWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-5-8-18-15(20)10(2)21-13-7-6-11(16)9-12(13)14(17)19/h6-7,9-10H,3-5,8,16H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide?
5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide has a molecular weight of 293.37 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide is sourced from PubChem (CID 106956230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).