propan-2-yl 2-(2-amino-N-propylanilino)acetate

C14H22N2O2 — CID 63230765

IUPACpropan-2-yl 2-(2-amino-N-propylanilino)acetate
SMILESCCCN(CC(=O)OC(C)C)c1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-4-9-16(10-14(17)18-11(2)3)13-8-6-5-7-12(13)15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyMKXCWSZJISLTEH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds6

About propan-2-yl 2-(2-amino-N-propylanilino)acetate

propan-2-yl 2-(2-amino-N-propylanilino)acetate (PubChem CID 63230765) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is propan-2-yl 2-(2-amino-N-propylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-amino-N-propylanilino)acetate
PubChem CID63230765
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namepropan-2-yl 2-(2-amino-N-propylanilino)acetate
SMILESCCCN(CC(=O)OC(C)C)c1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-4-9-16(10-14(17)18-11(2)3)13-8-6-5-7-12(13)15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyMKXCWSZJISLTEH-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
CID 63230718
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
CID 63230630
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 106453609
2-N-[2-(3-methylbutoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 55174201
3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-amino-N-propylanilino)acetate?
The IUPAC name of propan-2-yl 2-(2-amino-N-propylanilino)acetate (CID 63230765) is propan-2-yl 2-(2-amino-N-propylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(2-amino-N-propylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(2-amino-N-propylanilino)acetate is CCCN(CC(=O)OC(C)C)c1ccccc1N.
What is the InChIKey of propan-2-yl 2-(2-amino-N-propylanilino)acetate?
The InChIKey is MKXCWSZJISLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-16(10-14(17)18-11(2)3)13-8-6-5-7-12(13)15/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-amino-N-propylanilino)acetate?
propan-2-yl 2-(2-amino-N-propylanilino)acetate has a molecular weight of 250.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-amino-N-propylanilino)acetate is sourced from PubChem (CID 63230765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).