N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride

C18H27ClN2O — CID 119537103

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc2c(c1)CCCC2)NCCC1CCNC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(20-10-8-14-7-9-19-13-14)12-15-5-6-16-3-1-2-4-17(16)11-15;/h5-6,11,14,19H,1-4,7-10,12-13H2,(H,20,21);1H
InChIKeyNCILMYYMBLWZFX-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.65
Rot. Bonds5

About N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride (PubChem CID 119537103) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
PubChem CID119537103
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc2c(c1)CCCC2)NCCC1CCNC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(20-10-8-14-7-9-19-13-14)12-15-5-6-16-3-1-2-4-17(16)11-15;/h5-6,11,14,19H,1-4,7-10,12-13H2,(H,20,21);1H
InChIKeyNCILMYYMBLWZFX-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606081
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
N-(2-piperidin-3-ylethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119558546
N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119537060
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119534635
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride (CID 119537103) is N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride is Cl.O=C(Cc1ccc2c(c1)CCCC2)NCCC1CCNC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride?
The InChIKey is NCILMYYMBLWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c21-18(20-10-8-14-7-9-19-13-14)12-15-5-6-16-3-1-2-4-17(16)11-15;/h5-6,11,14,19H,1-4,7-10,12-13H2,(H,20,21);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119537103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).