ethyl 2-(3-amino-N-propylanilino)pentanoate

C16H26N2O2 — CID 83041055

IUPACethyl 2-(3-amino-N-propylanilino)pentanoate
SMILESCCCC(C(=O)OCC)N(CCC)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-4-8-15(16(19)20-6-3)18(11-5-2)14-10-7-9-13(17)12-14/h7,9-10,12,15H,4-6,8,11,17H2,1-3H3
InChIKeyLXMXVYJAYMQCRQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.22
Rot. Bonds8

About ethyl 2-(3-amino-N-propylanilino)pentanoate

ethyl 2-(3-amino-N-propylanilino)pentanoate (PubChem CID 83041055) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethyl 2-(3-amino-N-propylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-amino-N-propylanilino)pentanoate
PubChem CID83041055
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethyl 2-(3-amino-N-propylanilino)pentanoate
SMILESCCCC(C(=O)OCC)N(CCC)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-4-8-15(16(19)20-6-3)18(11-5-2)14-10-7-9-13(17)12-14/h7,9-10,12,15H,4-6,8,11,17H2,1-3H3
InChIKeyLXMXVYJAYMQCRQ-UHFFFAOYSA-N
XLogP3.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-N-propylanilino)pentanoate?
The IUPAC name of ethyl 2-(3-amino-N-propylanilino)pentanoate (CID 83041055) is ethyl 2-(3-amino-N-propylanilino)pentanoate.
What is the SMILES notation for ethyl 2-(3-amino-N-propylanilino)pentanoate?
The canonical SMILES for ethyl 2-(3-amino-N-propylanilino)pentanoate is CCCC(C(=O)OCC)N(CCC)c1cccc(N)c1.
What is the InChIKey of ethyl 2-(3-amino-N-propylanilino)pentanoate?
The InChIKey is LXMXVYJAYMQCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-8-15(16(19)20-6-3)18(11-5-2)14-10-7-9-13(17)12-14/h7,9-10,12,15H,4-6,8,11,17H2,1-3H3.
What are the key properties of ethyl 2-(3-amino-N-propylanilino)pentanoate?
ethyl 2-(3-amino-N-propylanilino)pentanoate has a molecular weight of 278.40 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-N-propylanilino)pentanoate is sourced from PubChem (CID 83041055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).