3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate

C19H29NO4 — CID 19377067

IUPAC3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate
SMILESCCC(=O)OOCCC(CC)NC1CCc2cccc(OC)c2C1
InChIInChI=1S/C19H29NO4/c1-4-15(11-12-23-24-19(21)5-2)20-16-10-9-14-7-6-8-18(22-3)17(14)13-16/h6-8,15-16,20H,4-5,9-13H2,1-3H3
InChIKeyUCJGUEOPLAFVMV-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.20
Rot. Bonds9

About 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate

3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate (PubChem CID 19377067) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate.

Molecular Properties

Compound Name3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate
PubChem CID19377067
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate
SMILESCCC(=O)OOCCC(CC)NC1CCc2cccc(OC)c2C1
InChIInChI=1S/C19H29NO4/c1-4-15(11-12-23-24-19(21)5-2)20-16-10-9-14-7-6-8-18(22-3)17(14)13-16/h6-8,15-16,20H,4-5,9-13H2,1-3H3
InChIKeyUCJGUEOPLAFVMV-UHFFFAOYSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-N-(1-methoxypentan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19377028
N,N-diethyl-3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanamide
CID 19377092
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide
CID 19377065
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride
CID 19377083
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide
CID 67870487
3-chloro-N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]propane-1-sulfonamide;dihydrochloride
CID 19377066
N-[4-[(8-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexyl]adamantane-1-carboxamide
CID 54427872
(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid
CID 122044708
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
N-[7-(1-methoxypentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54457737
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate?
The IUPAC name of 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate (CID 19377067) is 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate.
What is the SMILES notation for 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate?
The canonical SMILES for 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate is CCC(=O)OOCCC(CC)NC1CCc2cccc(OC)c2C1.
What is the InChIKey of 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate?
The InChIKey is UCJGUEOPLAFVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-15(11-12-23-24-19(21)5-2)20-16-10-9-14-7-6-8-18(22-3)17(14)13-16/h6-8,15-16,20H,4-5,9-13H2,1-3H3.
What are the key properties of 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate?
3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate has a molecular weight of 335.44 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate is sourced from PubChem (CID 19377067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).