[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate

C16H24N2O3 — CID 61320700

IUPAC[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate
SMILESCCCC(C)NC(=O)C(C)OC(=O)Cc1ccccc1N
InChIInChI=1S/C16H24N2O3/c1-4-7-11(2)18-16(20)12(3)21-15(19)10-13-8-5-6-9-14(13)17/h5-6,8-9,11-12H,4,7,10,17H2,1-3H3,(H,18,20)
InChIKeyFVQAEDNJESHYDS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds7

About [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate

[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate (PubChem CID 61320700) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate
PubChem CID61320700
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate
SMILESCCCC(C)NC(=O)C(C)OC(=O)Cc1ccccc1N
InChIInChI=1S/C16H24N2O3/c1-4-7-11(2)18-16(20)12(3)21-15(19)10-13-8-5-6-9-14(13)17/h5-6,8-9,11-12H,4,7,10,17H2,1-3H3,(H,18,20)
InChIKeyFVQAEDNJESHYDS-UHFFFAOYSA-N
XLogP2.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 3-aminobenzoate
CID 60720895
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 4-amino-3-chlorobenzoate
CID 78997020
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-amino-4-fluorobenzoate
CID 115577455
2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide
CID 61368574
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767222
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61487898
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate?
The IUPAC name of [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate (CID 61320700) is [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate.
What is the SMILES notation for [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate?
The canonical SMILES for [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate is CCCC(C)NC(=O)C(C)OC(=O)Cc1ccccc1N.
What is the InChIKey of [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate?
The InChIKey is FVQAEDNJESHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-11(2)18-16(20)12(3)21-15(19)10-13-8-5-6-9-14(13)17/h5-6,8-9,11-12H,4,7,10,17H2,1-3H3,(H,18,20).
What are the key properties of [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate?
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate has a molecular weight of 292.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(pentan-2-ylamino)propan-2-yl] 2-(2-aminophenyl)acetate is sourced from PubChem (CID 61320700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).