4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid

C15H21NO4 — CID 43113684

IUPAC4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-4-12(5-2)16-14(17)10(3)20-13-8-6-11(7-9-13)15(18)19/h6-10,12H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVNQWGXJAWLASDY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds7

About 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid

4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid (PubChem CID 43113684) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
PubChem CID43113684
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-4-12(5-2)16-14(17)10(3)20-13-8-6-11(7-9-13)15(18)19/h6-10,12H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVNQWGXJAWLASDY-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid 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-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718348
4-butan-2-yloxybenzoic acid
CID 5132695
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169

Frequently Asked Questions

What is the IUPAC name of 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid?
The IUPAC name of 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid (CID 43113684) is 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid.
What is the SMILES notation for 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid?
The canonical SMILES for 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid is CCC(CC)NC(=O)C(C)Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid?
The InChIKey is VNQWGXJAWLASDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-12(5-2)16-14(17)10(3)20-13-8-6-11(7-9-13)15(18)19/h6-10,12H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid?
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid is sourced from PubChem (CID 43113684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).