2-(propylamino)ethyl 3-acetamidobenzoate

C14H20N2O3 — CID 82532761

IUPAC2-(propylamino)ethyl 3-acetamidobenzoate
SMILESCCCNCCOC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N2O3/c1-3-7-15-8-9-19-14(18)12-5-4-6-13(10-12)16-11(2)17/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyGKZSMBNYASLCHF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds7

About 2-(propylamino)ethyl 3-acetamidobenzoate

2-(propylamino)ethyl 3-acetamidobenzoate (PubChem CID 82532761) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(propylamino)ethyl 3-acetamidobenzoate.

Molecular Properties

Compound Name2-(propylamino)ethyl 3-acetamidobenzoate
PubChem CID82532761
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(propylamino)ethyl 3-acetamidobenzoate
SMILESCCCNCCOC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H20N2O3/c1-3-7-15-8-9-19-14(18)12-5-4-6-13(10-12)16-11(2)17/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyGKZSMBNYASLCHF-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-acetamidobenzoate
CID 700589
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
propyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19171675
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
propyl 3-(methylcarbamothioylamino)benzoate
CID 2185770
N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
CID 70391748
propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
3-(4-fluorophenoxy)propyl 3-acetamidobenzoate
CID 7418041

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethyl 3-acetamidobenzoate?
The IUPAC name of 2-(propylamino)ethyl 3-acetamidobenzoate (CID 82532761) is 2-(propylamino)ethyl 3-acetamidobenzoate.
What is the SMILES notation for 2-(propylamino)ethyl 3-acetamidobenzoate?
The canonical SMILES for 2-(propylamino)ethyl 3-acetamidobenzoate is CCCNCCOC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 2-(propylamino)ethyl 3-acetamidobenzoate?
The InChIKey is GKZSMBNYASLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-7-15-8-9-19-14(18)12-5-4-6-13(10-12)16-11(2)17/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(propylamino)ethyl 3-acetamidobenzoate?
2-(propylamino)ethyl 3-acetamidobenzoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethyl 3-acetamidobenzoate is sourced from PubChem (CID 82532761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).