ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate

C17H25NO3 — CID 14838465

IUPACethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate
SMILESCCOC(=O)CCCNCCC1COc2ccccc2C1
InChIInChI=1S/C17H25NO3/c1-2-20-17(19)8-5-10-18-11-9-14-12-15-6-3-4-7-16(15)21-13-14/h3-4,6-7,14,18H,2,5,8-13H2,1H3
InChIKeyAHWQWLXJPGDRTC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds8

About ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate

ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate (PubChem CID 14838465) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate
PubChem CID14838465
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate
SMILESCCOC(=O)CCCNCCC1COc2ccccc2C1
InChIInChI=1S/C17H25NO3/c1-2-20-17(19)8-5-10-18-11-9-14-12-15-6-3-4-7-16(15)21-13-14/h3-4,6-7,14,18H,2,5,8-13H2,1H3
InChIKeyAHWQWLXJPGDRTC-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
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

3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoic acid
CID 15027459
2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
CID 142636437
ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propanoate
CID 644376
ethyl 3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propanoate
CID 6358638
10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
CID 150575494
ethyl 4-[[N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylcarbamimidoyl]amino]butanoate
CID 111949369
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
ethyl 4-(2,3-dihydro-1H-indene-2-carbonylamino)butanoate
CID 106703117
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
ethyl 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)acetate
CID 54031380
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate?
The IUPAC name of ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate (CID 14838465) is ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate.
What is the SMILES notation for ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate?
The canonical SMILES for ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate is CCOC(=O)CCCNCCC1COc2ccccc2C1.
What is the InChIKey of ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate?
The InChIKey is AHWQWLXJPGDRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-20-17(19)8-5-10-18-11-9-14-12-15-6-3-4-7-16(15)21-13-14/h3-4,6-7,14,18H,2,5,8-13H2,1H3.
What are the key properties of ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate?
ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate is sourced from PubChem (CID 14838465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).