N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide

C16H22N2O2 — CID 115903598

IUPACN-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCCc2cc(O)ccc21)C1CC1
InChIInChI=1S/C16H22N2O2/c19-13-6-7-14-12(10-13)2-1-3-15(14)17-8-9-18-16(20)11-4-5-11/h6-7,10-11,15,17,19H,1-5,8-9H2,(H,18,20)
InChIKeyIRRZLFRXSWDSOT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.89
Rot. Bonds5

About N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115903598) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115903598
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCCc2cc(O)ccc21)C1CC1
InChIInChI=1S/C16H22N2O2/c19-13-6-7-14-12(10-13)2-1-3-15(14)17-8-9-18-16(20)11-4-5-11/h6-7,10-11,15,17,19H,1-5,8-9H2,(H,18,20)
InChIKeyIRRZLFRXSWDSOT-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 18360715
5-[2-[ethyl(methyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62634516
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917393
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106144036
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide (CID 115903598) is N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNC1CCCc2cc(O)ccc21)C1CC1.
What is the InChIKey of N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is IRRZLFRXSWDSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-13-6-7-14-12(10-13)2-1-3-15(14)17-8-9-18-16(20)11-4-5-11/h6-7,10-11,15,17,19H,1-5,8-9H2,(H,18,20).
What are the key properties of N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115903598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).