2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide

C14H20N2O3 — CID 106235285

IUPAC2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNC1CCCc2ccc(O)cc21
InChIInChI=1S/C14H20N2O3/c15-14(18)9-19-7-6-16-13-3-1-2-10-4-5-11(17)8-12(10)13/h4-5,8,13,16-17H,1-3,6-7,9H2,(H2,15,18)
InChIKeyXLTMHWZAOZVVCO-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.86
Rot. Bonds6

About 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide

2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide (PubChem CID 106235285) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide
PubChem CID106235285
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNC1CCCc2ccc(O)cc21
InChIInChI=1S/C14H20N2O3/c15-14(18)9-19-7-6-16-13-3-1-2-10-4-5-11(17)8-12(10)13/h4-5,8,13,16-17H,1-3,6-7,9H2,(H2,15,18)
InChIKeyXLTMHWZAOZVVCO-UHFFFAOYSA-N
XLogP0.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
CID 115903598
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide (CID 106235285) is 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide is NC(=O)COCCNC1CCCc2ccc(O)cc21.
What is the InChIKey of 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide?
The InChIKey is XLTMHWZAOZVVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-14(18)9-19-7-6-16-13-3-1-2-10-4-5-11(17)8-12(10)13/h4-5,8,13,16-17H,1-3,6-7,9H2,(H2,15,18).
What are the key properties of 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide?
2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106235285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).