ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate

C17H24N2O2 — CID 65072333

IUPACethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1cn(CC)c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-3-19-13-14(15-8-5-6-9-16(15)19)12-18-11-7-10-17(20)21-4-2/h5-6,8-9,13,18H,3-4,7,10-12H2,1-2H3
InChIKeyKECPAIGFMNOZDC-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.09
Rot. Bonds8

About ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate

ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate (PubChem CID 65072333) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
PubChem CID65072333
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1cn(CC)c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-3-19-13-14(15-8-5-6-9-16(15)19)12-18-11-7-10-17(20)21-4-2/h5-6,8-9,13,18H,3-4,7,10-12H2,1-2H3
InChIKeyKECPAIGFMNOZDC-UHFFFAOYSA-N
XLogP3.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
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-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
ethyl 4-[(1-cyanoindolizin-2-yl)methylamino]butanoate
CID 64580122
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154
ethyl 4-(1-benzothiophen-3-ylmethylamino)butanoate
CID 64578346
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate?
The IUPAC name of ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate (CID 65072333) is ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate?
The canonical SMILES for ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate is CCOC(=O)CCCNCc1cn(CC)c2ccccc12.
What is the InChIKey of ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate?
The InChIKey is KECPAIGFMNOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-19-13-14(15-8-5-6-9-16(15)19)12-18-11-7-10-17(20)21-4-2/h5-6,8-9,13,18H,3-4,7,10-12H2,1-2H3.
What are the key properties of ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate?
ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate has a molecular weight of 288.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate is sourced from PubChem (CID 65072333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).