N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

C18H27ClN2O — CID 19773362

IUPACN-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESC=CCN(C(C)=O)c1cccc2c1CCC(NCCC)C2.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-4-11-19-16-9-10-17-15(13-16)7-6-8-18(17)20(12-5-2)14(3)21;/h5-8,16,19H,2,4,9-13H2,1,3H3;1H
InChIKeyNKMDQVFVWQDJHA-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.50
Rot. Bonds6

About N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (PubChem CID 19773362) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
PubChem CID19773362
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESC=CCN(C(C)=O)c1cccc2c1CCC(NCCC)C2.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-4-11-19-16-9-10-17-15(13-16)7-6-8-18(17)20(12-5-2)14(3)21;/h5-8,16,19H,2,4,9-13H2,1,3H3;1H
InChIKeyNKMDQVFVWQDJHA-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The IUPAC name of N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (CID 19773362) is N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is C=CCN(C(C)=O)c1cccc2c1CCC(NCCC)C2.Cl.
What is the InChIKey of N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The InChIKey is NKMDQVFVWQDJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-4-11-19-16-9-10-17-15(13-16)7-6-8-18(17)20(12-5-2)14(3)21;/h5-8,16,19H,2,4,9-13H2,1,3H3;1H.
What are the key properties of N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 19773362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).