ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate

C17H26N2O2 — CID 63054168

IUPACethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
SMILESCCOC(=O)C(CCN(C)c1ccc(C)cc1)NC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)16(18-14-7-8-14)11-12-19(3)15-9-5-13(2)6-10-15/h5-6,9-10,14,16,18H,4,7-8,11-12H2,1-3H3
InChIKeyFVBMLEXAUYMFEY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate

ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate (PubChem CID 63054168) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
PubChem CID63054168
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
SMILESCCOC(=O)C(CCN(C)c1ccc(C)cc1)NC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)16(18-14-7-8-14)11-12-19(3)15-9-5-13(2)6-10-15/h5-6,9-10,14,16,18H,4,7-8,11-12H2,1-3H3
InChIKeyFVBMLEXAUYMFEY-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate (CID 63054168) is ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate is CCOC(=O)C(CCN(C)c1ccc(C)cc1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate?
The InChIKey is FVBMLEXAUYMFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-17(20)16(18-14-7-8-14)11-12-19(3)15-9-5-13(2)6-10-15/h5-6,9-10,14,16,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate?
ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate has a molecular weight of 290.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate is sourced from PubChem (CID 63054168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).