(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride

C20H25ClN2O — CID 23621474

IUPAC(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
SMILESCNC(=O)[C@]1(c2ccccc2)CC[C@H](N(C)C)c2ccccc21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-21-19(23)20(15-9-5-4-6-10-15)14-13-18(22(2)3)16-11-7-8-12-17(16)20;/h4-12,18H,13-14H2,1-3H3,(H,21,23);1H/t18-,20-;/m0./s1
InChIKeyWELIWWBEWVZBFS-MKSBGGEFSA-N
MW344.89 g/mol
LogP3.54
Rot. Bonds3

About (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride

(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride (PubChem CID 23621474) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
PubChem CID23621474
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
SMILESCNC(=O)[C@]1(c2ccccc2)CC[C@H](N(C)C)c2ccccc21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-21-19(23)20(15-9-5-4-6-10-15)14-13-18(22(2)3)16-11-7-8-12-17(16)20;/h4-12,18H,13-14H2,1-3H3,(H,21,23);1H/t18-,20-;/m0./s1
InChIKeyWELIWWBEWVZBFS-MKSBGGEFSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride (CID 23621474) is (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride is CNC(=O)[C@]1(c2ccccc2)CC[C@H](N(C)C)c2ccccc21.Cl.
What is the InChIKey of (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
The InChIKey is WELIWWBEWVZBFS-MKSBGGEFSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-21-19(23)20(15-9-5-4-6-10-15)14-13-18(22(2)3)16-11-7-8-12-17(16)20;/h4-12,18H,13-14H2,1-3H3,(H,21,23);1H/t18-,20-;/m0./s1.
What are the key properties of (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 23621474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).