N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride

C18H27ClN2O — CID 119591970

IUPACN-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc2c(c1)CCC2)C1CCCCC1
InChIInChI=1S/C18H26N2O.ClH/c19-12-17(14-5-2-1-3-6-14)20-18(21)16-10-9-13-7-4-8-15(13)11-16;/h9-11,14,17H,1-8,12,19H2,(H,20,21);1H
InChIKeyRCGHYUUXEPZUBG-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.23
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride (PubChem CID 119591970) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
PubChem CID119591970
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc2c(c1)CCC2)C1CCCCC1
InChIInChI=1S/C18H26N2O.ClH/c19-12-17(14-5-2-1-3-6-14)20-18(21)16-10-9-13-7-4-8-15(13)11-16;/h9-11,14,17H,1-8,12,19H2,(H,20,21);1H
InChIKeyRCGHYUUXEPZUBG-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride (CID 119591970) is N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1ccc2c(c1)CCC2)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
The InChIKey is RCGHYUUXEPZUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c19-12-17(14-5-2-1-3-6-14)20-18(21)16-10-9-13-7-4-8-15(13)11-16;/h9-11,14,17H,1-8,12,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride is sourced from PubChem (CID 119591970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).