N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

C25H35ClN2O — CID 19773285

IUPACN-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc2c1CCC(NCCCCCCCc1ccccc1)C2.Cl
InChIInChI=1S/C25H34N2O.ClH/c1-20(28)27-25-15-10-14-22-19-23(16-17-24(22)25)26-18-9-4-2-3-6-11-21-12-7-5-8-13-21;/h5,7-8,10,12-15,23,26H,2-4,6,9,11,16-19H2,1H3,(H,27,28);1H
InChIKeyCQKSUAQXXCJTJM-UHFFFAOYSA-N
MW415.02 g/mol
LogP5.71
Rot. Bonds10

About N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (PubChem CID 19773285) has the molecular formula C25H35ClN2O and a molecular weight of 415.02 g/mol. Its IUPAC name is N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
PubChem CID19773285
Molecular FormulaC25H35ClN2O
Molecular Weight415.02 g/mol
Exact Mass414.24
IUPAC NameN-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc2c1CCC(NCCCCCCCc1ccccc1)C2.Cl
InChIInChI=1S/C25H34N2O.ClH/c1-20(28)27-25-15-10-14-22-19-23(16-17-24(22)25)26-18-9-4-2-3-6-11-21-12-7-5-8-13-21;/h5,7-8,10,12-15,23,26H,2-4,6,9,11,16-19H2,1H3,(H,27,28);1H
InChIKeyCQKSUAQXXCJTJM-UHFFFAOYSA-N
XLogP5.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.02
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-phenylethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773336
N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773305
N-[6-[2-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 67885092
6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 70057029
N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836469
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19696146
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
N-[(6R)-6-amino-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 18650731
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 70056976
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961

Frequently Asked Questions

What is the IUPAC name of N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (CID 19773285) is N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is CC(=O)Nc1cccc2c1CCC(NCCCCCCCc1ccccc1)C2.Cl.
What is the InChIKey of N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The InChIKey is CQKSUAQXXCJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O.ClH/c1-20(28)27-25-15-10-14-22-19-23(16-17-24(22)25)26-18-9-4-2-3-6-11-21-12-7-5-8-13-21;/h5,7-8,10,12-15,23,26H,2-4,6,9,11,16-19H2,1H3,(H,27,28);1H.
What are the key properties of N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride has a molecular weight of 415.02 g/mol, XLogP of 5.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 19773285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).